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

C11H22N4O — CID 115713992

IUPAC1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine
SMILESCOCCC(NCCn1cncn1)C(C)C
InChIInChI=1S/C11H22N4O/c1-10(2)11(4-7-16-3)13-5-6-15-9-12-8-14-15/h8-11,13H,4-7H2,1-3H3
InChIKeyAYMWZIIRJRYCSV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.93
Rot. Bonds8

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

1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine (PubChem CID 115713992) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine
PubChem CID115713992
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine
SMILESCOCCC(NCCn1cncn1)C(C)C
InChIInChI=1S/C11H22N4O/c1-10(2)11(4-7-16-3)13-5-6-15-9-12-8-14-15/h8-11,13H,4-7H2,1-3H3
InChIKeyAYMWZIIRJRYCSV-UHFFFAOYSA-N
XLogP0.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562608
N-(3-methoxypropyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115705135
N-(4-methoxybutyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115709725
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 115714418
1-methoxy-3-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 115714412
1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 115714019
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
CID 115707201
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole
CID 163758057
3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
CID 115712768

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine?
The IUPAC name of 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine (CID 115713992) is 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine is COCCC(NCCn1cncn1)C(C)C.
What is the InChIKey of 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine?
The InChIKey is AYMWZIIRJRYCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-10(2)11(4-7-16-3)13-5-6-15-9-12-8-14-15/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine?
1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine has a molecular weight of 226.32 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 115713992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).