N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine

C14H27N — CID 81030735

IUPACN-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
SMILESCCC1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C14H27N/c1-4-11-9-14(2,3)8-7-12(11)10-15-13-5-6-13/h11-13,15H,4-10H2,1-3H3
InChIKeyVOGMMTPRRQNEMA-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds4

About N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine

N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030735) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030735
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
SMILESCCC1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C14H27N/c1-4-11-9-14(2,3)8-7-12(11)10-15-13-5-6-13/h11-13,15H,4-10H2,1-3H3
InChIKeyVOGMMTPRRQNEMA-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-ethyl-4,4-dimethylcyclohexyl)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-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81030365
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
N-[[2-[(2-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81022470
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
N-[[2-[(2-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023259
N-[[2-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023802
3,4-diethyl-6,6-dimethylcyclooctan-1-amine
CID 166972980
N-(2-ethyl-5,5-dimethylcyclohexyl)formamide
CID 23292782
N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030736
N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81030505
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine (CID 81030735) is N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine is CCC1CC(C)(C)CCC1CNC1CC1.
What is the InChIKey of N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is VOGMMTPRRQNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-11-9-14(2,3)8-7-12(11)10-15-13-5-6-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).