2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

C10H18N4 — CID 83216308

IUPAC2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCn1cnnc1C1(C)CCCCC1N
InChIInChI=1S/C10H18N4/c1-10(6-4-3-5-8(10)11)9-13-12-7-14(9)2/h7-8H,3-6,11H2,1-2H3
InChIKeyZUHWKYZMKRYSCU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.97
Rot. Bonds1

About 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 83216308) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID83216308
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCn1cnnc1C1(C)CCCCC1N
InChIInChI=1S/C10H18N4/c1-10(6-4-3-5-8(10)11)9-13-12-7-14(9)2/h7-8H,3-6,11H2,1-2H3
InChIKeyZUHWKYZMKRYSCU-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 83216308) is 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is Cn1cnnc1C1(C)CCCCC1N.
What is the InChIKey of 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is ZUHWKYZMKRYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(6-4-3-5-8(10)11)9-13-12-7-14(9)2/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 83216308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).