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

C8H16N4O — CID 107040786

IUPAC2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine
SMILESCn1cc(COC(C)(C)CN)nn1
InChIInChI=1S/C8H16N4O/c1-8(2,6-9)13-5-7-4-12(3)11-10-7/h4H,5-6,9H2,1-3H3
InChIKeyXQYBSRAQAUMMMW-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.07
Rot. Bonds4

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

2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine (PubChem CID 107040786) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine
PubChem CID107040786
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine
SMILESCn1cc(COC(C)(C)CN)nn1
InChIInChI=1S/C8H16N4O/c1-8(2,6-9)13-5-7-4-12(3)11-10-7/h4H,5-6,9H2,1-3H3
InChIKeyXQYBSRAQAUMMMW-UHFFFAOYSA-N
XLogP0.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.07
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]propan-1-amine?
The IUPAC name of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine (CID 107040786) is 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine is Cn1cc(COC(C)(C)CN)nn1.
What is the InChIKey of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine?
The InChIKey is XQYBSRAQAUMMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(2,6-9)13-5-7-4-12(3)11-10-7/h4H,5-6,9H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine?
2-methyl-2-[(1-methyltriazol-4-yl)methoxy]propan-1-amine has a molecular weight of 184.24 g/mol, XLogP of 0.07, 4 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]propan-1-amine is sourced from PubChem (CID 107040786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).