3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

C12H24N2 — CID 63046292

IUPAC3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCN(CC2CCCC(N)C2)C1
InChIInChI=1S/C12H24N2/c1-10-5-6-14(8-10)9-11-3-2-4-12(13)7-11/h10-12H,2-9,13H2,1H3
InChIKeyPYHVYXAWIPGPEN-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.85
Rot. Bonds2

About 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63046292) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63046292
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCN(CC2CCCC(N)C2)C1
InChIInChI=1S/C12H24N2/c1-10-5-6-14(8-10)9-11-3-2-4-12(13)7-11/h10-12H,2-9,13H2,1H3
InChIKeyPYHVYXAWIPGPEN-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-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-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 167776529
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
(3S)-1-[(3-aminocyclopentyl)methyl]pyrrolidin-3-amine
CID 130625838
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 63045605
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63046291
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843314
N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120834026

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 63046292) is 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is CC1CCN(CC2CCCC(N)C2)C1.
What is the InChIKey of 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is PYHVYXAWIPGPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-5-6-14(8-10)9-11-3-2-4-12(13)7-11/h10-12H,2-9,13H2,1H3.
What are the key properties of 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63046292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).