1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine

C13H22N2 — CID 107412144

IUPAC1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCC1CCC(CNCc2cccn2C)C1
InChIInChI=1S/C13H22N2/c1-11-5-6-12(8-11)9-14-10-13-4-3-7-15(13)2/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyBBASQFGZKCONGM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine

1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine (PubChem CID 107412144) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
PubChem CID107412144
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCC1CCC(CNCc2cccn2C)C1
InChIInChI=1S/C13H22N2/c1-11-5-6-12(8-11)9-14-10-13-4-3-7-15(13)2/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyBBASQFGZKCONGM-UHFFFAOYSA-N
XLogP2.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine 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 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine (CID 107412144) is 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine is CC1CCC(CNCc2cccn2C)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The InChIKey is BBASQFGZKCONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-5-6-12(8-11)9-14-10-13-4-3-7-15(13)2/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine has a molecular weight of 206.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 107412144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).