1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine

C11H22N4 — CID 167213653

IUPAC1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine
SMILESCNc1cn(CCCCC(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-11(2,3)7-5-6-8-15-9-10(12-4)13-14-15/h9,12H,5-8H2,1-4H3
InChIKeyGFLSDIWUNVWKLY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds5

About 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine

1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine (PubChem CID 167213653) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine
PubChem CID167213653
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine
SMILESCNc1cn(CCCCC(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-11(2,3)7-5-6-8-15-9-10(12-4)13-14-15/h9,12H,5-8H2,1-4H3
InChIKeyGFLSDIWUNVWKLY-UHFFFAOYSA-N
XLogP2.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine?
The IUPAC name of 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine (CID 167213653) is 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine.
What is the SMILES notation for 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine?
The canonical SMILES for 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine is CNc1cn(CCCCC(C)(C)C)nn1.
What is the InChIKey of 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine?
The InChIKey is GFLSDIWUNVWKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(2,3)7-5-6-8-15-9-10(12-4)13-14-15/h9,12H,5-8H2,1-4H3.
What are the key properties of 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine?
1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine has a molecular weight of 210.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine is sourced from PubChem (CID 167213653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).