N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine

C14H28N4 — CID 55201520

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NCCc1nncn1C
InChIInChI=1S/C14H28N4/c1-4-5-6-7-8-9-13(2)15-11-10-14-17-16-12-18(14)3/h12-13,15H,4-11H2,1-3H3
InChIKeyWJCZGFOJXBMNNB-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.70
Rot. Bonds10

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine (PubChem CID 55201520) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine
PubChem CID55201520
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NCCc1nncn1C
InChIInChI=1S/C14H28N4/c1-4-5-6-7-8-9-13(2)15-11-10-14-17-16-12-18(14)3/h12-13,15H,4-11H2,1-3H3
InChIKeyWJCZGFOJXBMNNB-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-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 N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine (CID 55201520) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine is CCCCCCCC(C)NCCc1nncn1C.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine?
The InChIKey is WJCZGFOJXBMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-5-6-7-8-9-13(2)15-11-10-14-17-16-12-18(14)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]nonan-2-amine is sourced from PubChem (CID 55201520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).