N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine

C11H18N2 — CID 834380

IUPACN-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine
SMILESCn1cccc1CNC1CCCC1
InChIInChI=1S/C11H18N2/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3
InChIKeyXMXUOSCHRJKXOX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.06
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine

N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine (PubChem CID 834380) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine
PubChem CID834380
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine
SMILESCn1cccc1CNC1CCCC1
InChIInChI=1S/C11H18N2/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3
InChIKeyXMXUOSCHRJKXOX-UHFFFAOYSA-N
XLogP2.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine 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]cyclopentanamine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine (CID 834380) is N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine is Cn1cccc1CNC1CCCC1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine?
The InChIKey is XMXUOSCHRJKXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine?
N-[(1-methylpyrrol-2-yl)methyl]cyclopentanamine has a molecular weight of 178.28 g/mol, XLogP of 2.06, 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]cyclopentanamine is sourced from PubChem (CID 834380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).