2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine

C15H30N2 — CID 63218173

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCCC2(C)C)C1
InChIInChI=1S/C15H30N2/c1-4-12-6-7-14(16)13(10-12)11-17-9-5-8-15(17,2)3/h12-14H,4-11,16H2,1-3H3
InChIKeyCGXZIPZGDIMVIB-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds3

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 63218173) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID63218173
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCCC2(C)C)C1
InChIInChI=1S/C15H30N2/c1-4-12-6-7-14(16)13(10-12)11-17-9-5-8-15(17,2)3/h12-14H,4-11,16H2,1-3H3
InChIKeyCGXZIPZGDIMVIB-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine (CID 63218173) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(CN2CCCC2(C)C)C1.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is CGXZIPZGDIMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-12-6-7-14(16)13(10-12)11-17-9-5-8-15(17,2)3/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63218173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).