CHEMBL9477
C₁₆H₂₇N·233.390 g/mol·CID 44265998
IUPAC: (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadecane
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
233.390g/mol
Exact Mass
233.214350Da
Monoisotopic Mass
233.214350Da
XLogP
4.4
Polar Surface Area
12.0Ų
Complexity
313
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
1
Rotatable Bonds
0
Heavy Atoms
17
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 233.4 g/mol
MW ≤ 500
✓ 4.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H27N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h11-15,17H,2-10H2,1H3/t11?,12?,13?,14?,15-,16?/m1/s1
Isomers8 compounds with formula C₁₆H₂₇N
4-decylaniline
CID 92309 · 233.4 g/mol
N-benzyl-N-methyloctan-1-amine
CID 46295 · 233.4 g/mol
N,N-bis(3-methylbutyl)aniline
CID 84428 · 233.4 g/mol
4-(4-tert-butylphenyl)-N,N-dimethylbutan-1-amine
CID 46889753 · 233.4 g/mol
1-(1-adamantyl)cyclohexan-1-amine
CID 66645766 · 233.4 g/mol
N-butyl-N-(2-phenylethyl)butan-1-amine
CID 79842 · 233.4 g/mol
4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 103365 · 233.4 g/mol
4-(8-methylnonyl)aniline
CID 110201 · 233.4 g/mol