N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine

C17H27N — CID 175617918

IUPACN-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine
SMILESCCC1CC[C@@H](CNCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C17H27N/c1-3-15-9-10-17(14(2)11-15)13-18-12-16-7-5-4-6-8-16/h4-8,14-15,17-18H,3,9-13H2,1-2H3/t14-,15?,17-/m0/s1
InChIKeyLIPVXHIYQGQPSO-AYWPPYMVSA-N
MW245.41 g/mol
LogP4.24
Rot. Bonds5

About N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine

N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine (PubChem CID 175617918) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine
PubChem CID175617918
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine
SMILESCCC1CC[C@@H](CNCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C17H27N/c1-3-15-9-10-17(14(2)11-15)13-18-12-16-7-5-4-6-8-16/h4-8,14-15,17-18H,3,9-13H2,1-2H3/t14-,15?,17-/m0/s1
InChIKeyLIPVXHIYQGQPSO-AYWPPYMVSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
CID 116518670
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102775705
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine?
The IUPAC name of N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine (CID 175617918) is N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine.
What is the SMILES notation for N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine?
The canonical SMILES for N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine is CCC1CC[C@@H](CNCc2ccccc2)[C@@H](C)C1.
What is the InChIKey of N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine?
The InChIKey is LIPVXHIYQGQPSO-AYWPPYMVSA-N. The full InChI is InChI=1S/C17H27N/c1-3-15-9-10-17(14(2)11-15)13-18-12-16-7-5-4-6-8-16/h4-8,14-15,17-18H,3,9-13H2,1-2H3/t14-,15?,17-/m0/s1.
What are the key properties of N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine?
N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine is sourced from PubChem (CID 175617918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).