N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine

C14H29N — CID 63861332

IUPACN-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine
SMILESCCC1CCCCC1CCNC(C)(C)C
InChIInChI=1S/C14H29N/c1-5-12-8-6-7-9-13(12)10-11-15-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyITZMCXLTCGSUJG-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine

N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine (PubChem CID 63861332) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine
PubChem CID63861332
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine
SMILESCCC1CCCCC1CCNC(C)(C)C
InChIInChI=1S/C14H29N/c1-5-12-8-6-7-9-13(12)10-11-15-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyITZMCXLTCGSUJG-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine 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

Propylhexedrine
CID 7558
Cyclohexaneethanamine, N,alpha-dimethyl-, hydrochloride (1:1)
CID 102541
(2-Cyclohexylethyl)(methyl)amine
CID 43930
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
(Cyclohexylmethyl)(methyl)amine
CID 117276
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
Propylhexedrine hydrochloride, (S)-
CID 111166
Cyclexedrine hydrochloride
CID 115662
Cyclohexaneethylamine, N,alpha,alpha-trimethyl-
CID 199972
Cyclohexaneethylamine, alpha,alpha-dimethyl-N-propyl-
CID 199973

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine (CID 63861332) is N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine is CCC1CCCCC1CCNC(C)(C)C.
What is the InChIKey of N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is ITZMCXLTCGSUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-12-8-6-7-9-13(12)10-11-15-14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine?
N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylcyclohexyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63861332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).