3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine

C8H17N3 — CID 84763670

IUPAC3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
SMILESNCCCN1CC2CC1CN2
InChIInChI=1S/C8H17N3/c9-2-1-3-11-6-7-4-8(11)5-10-7/h7-8,10H,1-6,9H2
InChIKeyUDGPOFNNLXKFRH-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.62
Rot. Bonds3

About 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine

3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine (PubChem CID 84763670) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
PubChem CID84763670
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
SMILESNCCCN1CC2CC1CN2
InChIInChI=1S/C8H17N3/c9-2-1-3-11-6-7-4-8(11)5-10-7/h7-8,10H,1-6,9H2
InChIKeyUDGPOFNNLXKFRH-UHFFFAOYSA-N
XLogP-0.62
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine 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 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The IUPAC name of 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine (CID 84763670) is 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine is NCCCN1CC2CC1CN2.
What is the InChIKey of 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The InChIKey is UDGPOFNNLXKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-2-1-3-11-6-7-4-8(11)5-10-7/h7-8,10H,1-6,9H2.
What are the key properties of 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine has a molecular weight of 155.24 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine is sourced from PubChem (CID 84763670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).