[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C13H27ClN2 — CID 120837602

IUPAC[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1CCCC(CN2CCC(CN)C2)C1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11-3-2-4-12(7-11)9-15-6-5-13(8-14)10-15;/h11-13H,2-10,14H2,1H3;1H
InChIKeyZMYJSRDRJDTNOW-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.52
Rot. Bonds3

About [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120837602) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120837602
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1CCCC(CN2CCC(CN)C2)C1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11-3-2-4-12(7-11)9-15-6-5-13(8-14)10-15;/h11-13H,2-10,14H2,1H3;1H
InChIKeyZMYJSRDRJDTNOW-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride 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

(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120834026
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843314
(3-methylcyclohexyl)methanamine
CID 18361468
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
CID 110019671
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine
CID 147678313
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
3-bromo-4-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 130909248
1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844533

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120837602) is [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CC1CCCC(CN2CCC(CN)C2)C1.Cl.
What is the InChIKey of [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is ZMYJSRDRJDTNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-11-3-2-4-12(7-11)9-15-6-5-13(8-14)10-15;/h11-13H,2-10,14H2,1H3;1H.
What are the key properties of [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 246.83 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120837602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).