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

C9H18N4O — CID 107040788

IUPAC2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine
SMILESCCC(C)(CN)OCc1cn(C)nn1
InChIInChI=1S/C9H18N4O/c1-4-9(2,7-10)14-6-8-5-13(3)12-11-8/h5H,4,6-7,10H2,1-3H3
InChIKeyZNTVYNOCZJKPGF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.46
Rot. Bonds5

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

2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine (PubChem CID 107040788) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine
PubChem CID107040788
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine
SMILESCCC(C)(CN)OCc1cn(C)nn1
InChIInChI=1S/C9H18N4O/c1-4-9(2,7-10)14-6-8-5-13(3)12-11-8/h5H,4,6-7,10H2,1-3H3
InChIKeyZNTVYNOCZJKPGF-UHFFFAOYSA-N
XLogP0.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
The IUPAC name of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine (CID 107040788) is 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine is CCC(C)(CN)OCc1cn(C)nn1.
What is the InChIKey of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
The InChIKey is ZNTVYNOCZJKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-9(2,7-10)14-6-8-5-13(3)12-11-8/h5H,4,6-7,10H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine?
2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine has a molecular weight of 198.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]butan-1-amine is sourced from PubChem (CID 107040788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).