N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine

C19H29N — CID 81030099

IUPACN-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(Cc2ccccc2)C1
InChIInChI=1S/C19H29N/c1-2-15-8-9-17(14-20-19-10-11-19)18(12-15)13-16-6-4-3-5-7-16/h3-7,15,17-20H,2,8-14H2,1H3
InChIKeyLYBLBEXJKBGVSC-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.42
Rot. Bonds6

About N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine

N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030099) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030099
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(Cc2ccccc2)C1
InChIInChI=1S/C19H29N/c1-2-15-8-9-17(14-20-19-10-11-19)18(12-15)13-16-6-4-3-5-7-16/h3-7,15,17-20H,2,8-14H2,1H3
InChIKeyLYBLBEXJKBGVSC-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine 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-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 104813951
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81029586
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine (CID 81030099) is N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(Cc2ccccc2)C1.
What is the InChIKey of N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is LYBLBEXJKBGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-15-8-9-17(14-20-19-10-11-19)18(12-15)13-16-6-4-3-5-7-16/h3-7,15,17-20H,2,8-14H2,1H3.
What are the key properties of N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 271.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).