N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine

C16H32N2 — CID 64746015

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCCN1CCC(CNC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-4-18-9-7-15(8-10-18)12-17-16-6-5-13(2)14(3)11-16/h13-17H,4-12H2,1-3H3
InChIKeyVDFJQPXBVCLZAB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64746015) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64746015
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCCN1CCC(CNC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-4-18-9-7-15(8-10-18)12-17-16-6-5-13(2)14(3)11-16/h13-17H,4-12H2,1-3H3
InChIKeyVDFJQPXBVCLZAB-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-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

3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 64745632
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
3,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64746013
N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
CID 103981902
(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine
CID 124863830
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
tert-butyl 4-[(1-ethylpiperidin-4-yl)methylamino]azepane-1-carboxylate
CID 113361554
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 64746015) is N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine is CCN1CCC(CNC2CCC(C)C(C)C2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is VDFJQPXBVCLZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-18-9-7-15(8-10-18)12-17-16-6-5-13(2)14(3)11-16/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64746015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).