2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

C13H24N4 — CID 80680581

IUPAC2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCCc1ncn(C)n1
InChIInChI=1S/C13H24N4/c1-10-5-4-6-11(2)13(10)14-8-7-12-15-9-17(3)16-12/h9-11,13-14H,4-8H2,1-3H3
InChIKeyUFXFZQDRQSPHTM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.77
Rot. Bonds4

About 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 80680581) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID80680581
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCCc1ncn(C)n1
InChIInChI=1S/C13H24N4/c1-10-5-4-6-11(2)13(10)14-8-7-12-15-9-17(3)16-12/h9-11,13-14H,4-8H2,1-3H3
InChIKeyUFXFZQDRQSPHTM-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
2,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395561
2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106662637
2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80681012
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
CID 80680846
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
2-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 80683143
1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 80683011
3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 115688762
1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 80681298
2-(1-methyl-1,2,4-triazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 107911766
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683107

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (CID 80680581) is 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is CC1CCCC(C)C1NCCc1ncn(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is UFXFZQDRQSPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-5-4-6-11(2)13(10)14-8-7-12-15-9-17(3)16-12/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 80680581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).