3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine

C16H24N4 — CID 114691507

IUPAC3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4/c1-13(2)17-11-10-16(3,4)15-12-18-19-20(15)14-8-6-5-7-9-14/h5-9,12-13,17H,10-11H2,1-4H3
InChIKeyUNJNHPMNMNPJNU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.93
Rot. Bonds6

About 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine

3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 114691507) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
PubChem CID114691507
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4/c1-13(2)17-11-10-16(3,4)15-12-18-19-20(15)14-8-6-5-7-9-14/h5-9,12-13,17H,10-11H2,1-4H3
InChIKeyUNJNHPMNMNPJNU-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol
CID 114691263
3-methyl-3-(3-phenyltriazol-4-yl)butanoic acid
CID 114691347
4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
CID 114685496
2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 114690443
2-methyl-2-(3-phenyltriazol-4-yl)propanoic acid
CID 114690024
N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 114691489
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
CID 114685504
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
CID 114690410
2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043321
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine (CID 114691507) is 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)c1cnnn1-c1ccccc1.
What is the InChIKey of 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is UNJNHPMNMNPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)17-11-10-16(3,4)15-12-18-19-20(15)14-8-6-5-7-9-14/h5-9,12-13,17H,10-11H2,1-4H3.
What are the key properties of 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine?
3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114691507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).