2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine

C12H22N4 — CID 115429046

IUPAC2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C12H22N4/c1-12(2,8-13)11-14-10(15-16-11)9-6-4-3-5-7-9/h9H,3-8,13H2,1-2H3,(H,14,15,16)
InChIKeyLDYFYMKLYDLPDB-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine

2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine (PubChem CID 115429046) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
PubChem CID115429046
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C12H22N4/c1-12(2,8-13)11-14-10(15-16-11)9-6-4-3-5-7-9/h9H,3-8,13H2,1-2H3,(H,14,15,16)
InChIKeyLDYFYMKLYDLPDB-UHFFFAOYSA-N
XLogP2.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine (CID 115429046) is 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine is CC(C)(CN)c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The InChIKey is LDYFYMKLYDLPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,8-13)11-14-10(15-16-11)9-6-4-3-5-7-9/h9H,3-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115429046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).