N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride

C13H27ClN2 — CID 120834026

IUPACN-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(CC2CCCC(C)C2)C1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11-4-3-5-12(8-11)9-15-7-6-13(10-15)14-2;/h11-14H,3-10H2,1-2H3;1H
InChIKeyBZNDYILBBPYWSL-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.53
Rot. Bonds3

About N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride

N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120834026) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120834026
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC NameN-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(CC2CCCC(C)C2)C1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11-4-3-5-12(8-11)9-15-7-6-13(10-15)14-2;/h11-14H,3-10H2,1-2H3;1H
InChIKeyBZNDYILBBPYWSL-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843314
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
CID 110019671
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
3-bromo-4-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 130909248
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-3-amine
CID 107420790
N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide
CID 124740481
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120834026) is N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride is CNC1CCN(CC2CCCC(C)C2)C1.Cl.
What is the InChIKey of N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is BZNDYILBBPYWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-11-4-3-5-12(8-11)9-15-7-6-13(10-15)14-2;/h11-14H,3-10H2,1-2H3;1H.
What are the key properties of N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 246.83 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120834026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).