2-pyrrolidin-1-ylbutane-1,4-diamine

C8H19N3 — CID 54231600

IUPAC2-pyrrolidin-1-ylbutane-1,4-diamine
SMILESNCCC(CN)N1CCCC1
InChIInChI=1S/C8H19N3/c9-4-3-8(7-10)11-5-1-2-6-11/h8H,1-7,9-10H2
InChIKeyQJQZJFSPXRFYNG-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.24
Rot. Bonds4

About 2-pyrrolidin-1-ylbutane-1,4-diamine

2-pyrrolidin-1-ylbutane-1,4-diamine (PubChem CID 54231600) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylbutane-1,4-diamine.

Molecular Properties

Compound Name2-pyrrolidin-1-ylbutane-1,4-diamine
PubChem CID54231600
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2-pyrrolidin-1-ylbutane-1,4-diamine
SMILESNCCC(CN)N1CCCC1
InChIInChI=1S/C8H19N3/c9-4-3-8(7-10)11-5-1-2-6-11/h8H,1-7,9-10H2
InChIKeyQJQZJFSPXRFYNG-UHFFFAOYSA-N
XLogP-0.24
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-pyrrolidin-1-ylbutane-1,4-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 2-pyrrolidin-1-ylbutane-1,4-diamine?
The IUPAC name of 2-pyrrolidin-1-ylbutane-1,4-diamine (CID 54231600) is 2-pyrrolidin-1-ylbutane-1,4-diamine.
What is the SMILES notation for 2-pyrrolidin-1-ylbutane-1,4-diamine?
The canonical SMILES for 2-pyrrolidin-1-ylbutane-1,4-diamine is NCCC(CN)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylbutane-1,4-diamine?
The InChIKey is QJQZJFSPXRFYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c9-4-3-8(7-10)11-5-1-2-6-11/h8H,1-7,9-10H2.
What are the key properties of 2-pyrrolidin-1-ylbutane-1,4-diamine?
2-pyrrolidin-1-ylbutane-1,4-diamine has a molecular weight of 157.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylbutane-1,4-diamine is sourced from PubChem (CID 54231600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).