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

C13H24N4 — CID 80681012

IUPAC2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCn1cnc(CCNC2CCCCC2(C)C)n1
InChIInChI=1S/C13H24N4/c1-13(2)8-5-4-6-11(13)14-9-7-12-15-10-17(3)16-12/h10-11,14H,4-9H2,1-3H3
InChIKeyQYYVMTCTTBAVIO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds4

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

2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 80681012) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID80681012
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCn1cnc(CCNC2CCCCC2(C)C)n1
InChIInChI=1S/C13H24N4/c1-13(2)8-5-4-6-11(13)14-9-7-12-15-10-17(3)16-12/h10-11,14H,4-9H2,1-3H3
InChIKeyQYYVMTCTTBAVIO-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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
1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 80681298
2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80680581
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377
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-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
CID 80680846
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828913
N-(2,2-dimethylcyclohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 79828762
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683107
2-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 80683143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (CID 80681012) is 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is Cn1cnc(CCNC2CCCCC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is QYYVMTCTTBAVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2)8-5-4-6-11(13)14-9-7-12-15-10-17(3)16-12/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
2,2-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 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 80681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).