1-N-methylpyrrolidine-1,2-diamine

C5H13N3 — CID 68546564

IUPAC1-N-methylpyrrolidine-1,2-diamine
SMILESCNN1CCCC1N
InChIInChI=1S/C5H13N3/c1-7-8-4-2-3-5(8)6/h5,7H,2-4,6H2,1H3
InChIKeyIWDXLQTYQMRCNP-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.50
Rot. Bonds1

About 1-N-methylpyrrolidine-1,2-diamine

1-N-methylpyrrolidine-1,2-diamine (PubChem CID 68546564) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-N-methylpyrrolidine-1,2-diamine.

Molecular Properties

Compound Name1-N-methylpyrrolidine-1,2-diamine
PubChem CID68546564
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1-N-methylpyrrolidine-1,2-diamine
SMILESCNN1CCCC1N
InChIInChI=1S/C5H13N3/c1-7-8-4-2-3-5(8)6/h5,7H,2-4,6H2,1H3
InChIKeyIWDXLQTYQMRCNP-UHFFFAOYSA-N
XLogP-0.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-methylpyrrolidine-1,2-diamine 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-N-methylpyrrolidine-1,2-diamine?
The IUPAC name of 1-N-methylpyrrolidine-1,2-diamine (CID 68546564) is 1-N-methylpyrrolidine-1,2-diamine.
What is the SMILES notation for 1-N-methylpyrrolidine-1,2-diamine?
The canonical SMILES for 1-N-methylpyrrolidine-1,2-diamine is CNN1CCCC1N.
What is the InChIKey of 1-N-methylpyrrolidine-1,2-diamine?
The InChIKey is IWDXLQTYQMRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-7-8-4-2-3-5(8)6/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-N-methylpyrrolidine-1,2-diamine?
1-N-methylpyrrolidine-1,2-diamine has a molecular weight of 115.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methylpyrrolidine-1,2-diamine is sourced from PubChem (CID 68546564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).