2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine

C10H20N4O — CID 107040790

IUPAC2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine
SMILESCCC(CC)(CN)OCc1cn(C)nn1
InChIInChI=1S/C10H20N4O/c1-4-10(5-2,8-11)15-7-9-6-14(3)13-12-9/h6H,4-5,7-8,11H2,1-3H3
InChIKeyNYVYTLLXGCYKMO-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.85
Rot. Bonds6

About 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine

2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine (PubChem CID 107040790) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine
PubChem CID107040790
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine
SMILESCCC(CC)(CN)OCc1cn(C)nn1
InChIInChI=1S/C10H20N4O/c1-4-10(5-2,8-11)15-7-9-6-14(3)13-12-9/h6H,4-5,7-8,11H2,1-3H3
InChIKeyNYVYTLLXGCYKMO-UHFFFAOYSA-N
XLogP0.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-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-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine (CID 107040790) is 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine is CCC(CC)(CN)OCc1cn(C)nn1.
What is the InChIKey of 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
The InChIKey is NYVYTLLXGCYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-10(5-2,8-11)15-7-9-6-14(3)13-12-9/h6H,4-5,7-8,11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine is sourced from PubChem (CID 107040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).