2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine

C15H24N4 — CID 83044953

IUPAC2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1nnc2ccccc21
InChIInChI=1S/C15H24N4/c1-5-8-12(11-16-15(2,3)4)19-14-10-7-6-9-13(14)17-18-19/h6-7,9-10,12,16H,5,8,11H2,1-4H3
InChIKeyXQKIXLOGURDPIN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine

2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine (PubChem CID 83044953) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
PubChem CID83044953
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1nnc2ccccc21
InChIInChI=1S/C15H24N4/c1-5-8-12(11-16-15(2,3)4)19-14-10-7-6-9-13(14)17-18-19/h6-7,9-10,12,16H,5,8,11H2,1-4H3
InChIKeyXQKIXLOGURDPIN-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-1-yl)-N-tert-butylpentan-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 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine?
The IUPAC name of 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine (CID 83044953) is 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine is CCCC(CNC(C)(C)C)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine?
The InChIKey is XQKIXLOGURDPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-8-12(11-16-15(2,3)4)19-14-10-7-6-9-13(14)17-18-19/h6-7,9-10,12,16H,5,8,11H2,1-4H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine?
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine is sourced from PubChem (CID 83044953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).