(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine

C15H28N4 — CID 82206090

IUPAC(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
SMILESCCCCCCn1nnc(CN)c1C1CCCCC1
InChIInChI=1S/C15H28N4/c1-2-3-4-8-11-19-15(14(12-16)17-18-19)13-9-6-5-7-10-13/h13H,2-12,16H2,1H3
InChIKeySLHRAVZHWFFWRJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.36
Rot. Bonds7

About (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine

(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine (PubChem CID 82206090) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
PubChem CID82206090
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
SMILESCCCCCCn1nnc(CN)c1C1CCCCC1
InChIInChI=1S/C15H28N4/c1-2-3-4-8-11-19-15(14(12-16)17-18-19)13-9-6-5-7-10-13/h13H,2-12,16H2,1H3
InChIKeySLHRAVZHWFFWRJ-UHFFFAOYSA-N
XLogP3.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.36
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 (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine?
The IUPAC name of (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine (CID 82206090) is (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine?
The canonical SMILES for (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine is CCCCCCn1nnc(CN)c1C1CCCCC1.
What is the InChIKey of (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine?
The InChIKey is SLHRAVZHWFFWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-2-3-4-8-11-19-15(14(12-16)17-18-19)13-9-6-5-7-10-13/h13H,2-12,16H2,1H3.
What are the key properties of (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine?
(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1-hexyltriazol-4-yl)methanamine is sourced from PubChem (CID 82206090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).