1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine

C14H26N4 — CID 55111424

IUPAC1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C(C)(C)C)nn2C)C1
InChIInChI=1S/C14H26N4/c1-10-7-6-8-14(15,9-10)12-16-11(13(2,3)4)17-18(12)5/h10H,6-9,15H2,1-5H3
InChIKeyCWKPPAPOUJTKNX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds1

About 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine

1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine (PubChem CID 55111424) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
PubChem CID55111424
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C(C)(C)C)nn2C)C1
InChIInChI=1S/C14H26N4/c1-10-7-6-8-14(15,9-10)12-16-11(13(2,3)4)17-18(12)5/h10H,6-9,15H2,1-5H3
InChIKeyCWKPPAPOUJTKNX-UHFFFAOYSA-N
XLogP2.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine (CID 55111424) is 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc(C(C)(C)C)nn2C)C1.
What is the InChIKey of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
The InChIKey is CWKPPAPOUJTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10-7-6-8-14(15,9-10)12-16-11(13(2,3)4)17-18(12)5/h10H,6-9,15H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 55111424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).