1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine

C9H14N2 — CID 58398129

IUPAC1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine
SMILESCNCC1=NCC(C2CC2)=C1
InChIInChI=1S/C9H14N2/c1-10-6-9-4-8(5-11-9)7-2-3-7/h4,7,10H,2-3,5-6H2,1H3
InChIKeyYUTGJSBMHQRFQB-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.00
Rot. Bonds3

About 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine

1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine (PubChem CID 58398129) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine
PubChem CID58398129
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine
SMILESCNCC1=NCC(C2CC2)=C1
InChIInChI=1S/C9H14N2/c1-10-6-9-4-8(5-11-9)7-2-3-7/h4,7,10H,2-3,5-6H2,1H3
InChIKeyYUTGJSBMHQRFQB-UHFFFAOYSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine 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-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine (CID 58398129) is 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine is CNCC1=NCC(C2CC2)=C1.
What is the InChIKey of 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine?
The InChIKey is YUTGJSBMHQRFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-6-9-4-8(5-11-9)7-2-3-7/h4,7,10H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine?
1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 58398129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).