4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

C14H26N4 — CID 82013658

IUPAC4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCc1nnc(CCC(C)CN)n1C1CCCCC1
InChIInChI=1S/C14H26N4/c1-11(10-15)8-9-14-17-16-12(2)18(14)13-6-4-3-5-7-13/h11,13H,3-10,15H2,1-2H3
InChIKeyZNLRIFMHYMZPGX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.62
Rot. Bonds5

About 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (PubChem CID 82013658) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
PubChem CID82013658
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCc1nnc(CCC(C)CN)n1C1CCCCC1
InChIInChI=1S/C14H26N4/c1-11(10-15)8-9-14-17-16-12(2)18(14)13-6-4-3-5-7-13/h11,13H,3-10,15H2,1-2H3
InChIKeyZNLRIFMHYMZPGX-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (CID 82013658) is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is Cc1nnc(CCC(C)CN)n1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is ZNLRIFMHYMZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(10-15)8-9-14-17-16-12(2)18(14)13-6-4-3-5-7-13/h11,13H,3-10,15H2,1-2H3.
What are the key properties of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 82013658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).