N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride

C12H21ClN2 — CID 11948784

IUPACN-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride
SMILESCl.Cn1cccc1CNC1CCCCC1
InChIInChI=1S/C12H20N2.ClH/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11;/h5,8-9,11,13H,2-4,6-7,10H2,1H3;1H
InChIKeyJVLHVLNSTYXLFC-UHFFFAOYSA-N
MW228.77 g/mol
LogP2.87
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride

N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride (PubChem CID 11948784) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride
PubChem CID11948784
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride
SMILESCl.Cn1cccc1CNC1CCCCC1
InChIInChI=1S/C12H20N2.ClH/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11;/h5,8-9,11,13H,2-4,6-7,10H2,1H3;1H
InChIKeyJVLHVLNSTYXLFC-UHFFFAOYSA-N
XLogP2.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride 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 N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride (CID 11948784) is N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride is Cl.Cn1cccc1CNC1CCCCC1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride?
The InChIKey is JVLHVLNSTYXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.ClH/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11;/h5,8-9,11,13H,2-4,6-7,10H2,1H3;1H.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride?
N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 11948784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).