N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine

C11H22N4 — CID 62446441

IUPACN-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine
SMILESCC(C)CNCCCCCn1cncn1
InChIInChI=1S/C11H22N4/c1-11(2)8-12-6-4-3-5-7-15-10-13-9-14-15/h9-12H,3-8H2,1-2H3
InChIKeyXOIMRNXGVOGAJJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds8

About N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine

N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine (PubChem CID 62446441) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine
PubChem CID62446441
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine
SMILESCC(C)CNCCCCCn1cncn1
InChIInChI=1S/C11H22N4/c1-11(2)8-12-6-4-3-5-7-15-10-13-9-14-15/h9-12H,3-8H2,1-2H3
InChIKeyXOIMRNXGVOGAJJ-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine (CID 62446441) is N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine is CC(C)CNCCCCCn1cncn1.
What is the InChIKey of N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine?
The InChIKey is XOIMRNXGVOGAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(2)8-12-6-4-3-5-7-15-10-13-9-14-15/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine?
N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(1,2,4-triazol-1-yl)pentan-1-amine is sourced from PubChem (CID 62446441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).