3-(5-cycloheptyltriazol-1-yl)propan-1-amine

C12H22N4 — CID 115033614

IUPAC3-(5-cycloheptyltriazol-1-yl)propan-1-amine
SMILESNCCCn1nncc1C1CCCCCC1
InChIInChI=1S/C12H22N4/c13-8-5-9-16-12(10-14-15-16)11-6-3-1-2-4-7-11/h10-11H,1-9,13H2
InChIKeyBVCSLQBPRDDBBF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.06
Rot. Bonds4

About 3-(5-cycloheptyltriazol-1-yl)propan-1-amine

3-(5-cycloheptyltriazol-1-yl)propan-1-amine (PubChem CID 115033614) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(5-cycloheptyltriazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-cycloheptyltriazol-1-yl)propan-1-amine
PubChem CID115033614
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(5-cycloheptyltriazol-1-yl)propan-1-amine
SMILESNCCCn1nncc1C1CCCCCC1
InChIInChI=1S/C12H22N4/c13-8-5-9-16-12(10-14-15-16)11-6-3-1-2-4-7-11/h10-11H,1-9,13H2
InChIKeyBVCSLQBPRDDBBF-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-cycloheptyltriazol-1-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-(5-cycloheptyltriazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5-cycloheptyltriazol-1-yl)propan-1-amine (CID 115033614) is 3-(5-cycloheptyltriazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5-cycloheptyltriazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5-cycloheptyltriazol-1-yl)propan-1-amine is NCCCn1nncc1C1CCCCCC1.
What is the InChIKey of 3-(5-cycloheptyltriazol-1-yl)propan-1-amine?
The InChIKey is BVCSLQBPRDDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-8-5-9-16-12(10-14-15-16)11-6-3-1-2-4-7-11/h10-11H,1-9,13H2.
What are the key properties of 3-(5-cycloheptyltriazol-1-yl)propan-1-amine?
3-(5-cycloheptyltriazol-1-yl)propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cycloheptyltriazol-1-yl)propan-1-amine is sourced from PubChem (CID 115033614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).