1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine

C13H24N4 — CID 107049489

IUPAC1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCC1CCC(C(N)Cc2cn(C)nn2)CC1
InChIInChI=1S/C13H24N4/c1-3-10-4-6-11(7-5-10)13(14)8-12-9-17(2)16-15-12/h9-11,13H,3-8,14H2,1-2H3
InChIKeyCGTLTVMNHREJRE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107049489) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107049489
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCC1CCC(C(N)Cc2cn(C)nn2)CC1
InChIInChI=1S/C13H24N4/c1-3-10-4-6-11(7-5-10)13(14)8-12-9-17(2)16-15-12/h9-11,13H,3-8,14H2,1-2H3
InChIKeyCGTLTVMNHREJRE-UHFFFAOYSA-N
XLogP1.90
TPSA56.73 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
CID 107049452
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107051012
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119
1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 65392490
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
[1-(4-tert-butylcyclohexyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066160
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066631
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107049489) is 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine is CCC1CCC(C(N)Cc2cn(C)nn2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is CGTLTVMNHREJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-10-4-6-11(7-5-10)13(14)8-12-9-17(2)16-15-12/h9-11,13H,3-8,14H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107049489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).