SCHEMBL292936
C₁₆H₂₇N·233.390 g/mol·CID 66645766
IUPAC: 1-(1-adamantyl)cyclohexan-1-amine
Also known as: CHEMBL4074573
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
233.390g/mol
Exact Mass
233.214350Da
Monoisotopic Mass
233.214350Da
XLogP
3.8
Polar Surface Area
26.0Ų
Complexity
272
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
1
Rotatable Bonds
1
Heavy Atoms
17
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 233.4 g/mol
MW ≤ 500
✓ 3.8
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/c17-16(4-2-1-3-5-16)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,1-11,17H2
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
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadecane
CID 44265998 · 233.4 g/mol
4-(4-tert-butylphenyl)-N,N-dimethylbutan-1-amine
CID 46889753 · 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