1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

C16H30N4 — CID 105002012

IUPAC1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ncnn2CC)CC1
InChIInChI=1S/C16H30N4/c1-3-5-6-13-7-9-14(10-8-13)15(17)11-16-18-12-19-20(16)4-2/h12-15H,3-11,17H2,1-2H3
InChIKeyZFUCAOQVDWEWMG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.16
Rot. Bonds7

About 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105002012) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105002012
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ncnn2CC)CC1
InChIInChI=1S/C16H30N4/c1-3-5-6-13-7-9-14(10-8-13)15(17)11-16-18-12-19-20(16)4-2/h12-15H,3-11,17H2,1-2H3
InChIKeyZFUCAOQVDWEWMG-UHFFFAOYSA-N
XLogP3.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002185
[(4-butylcyclohexyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]hydrazine
CID 112744361
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097376
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
CID 105002075
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003165
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030638

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (CID 105002012) is 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is CCCCC1CCC(C(N)Cc2ncnn2CC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ZFUCAOQVDWEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-5-6-13-7-9-14(10-8-13)15(17)11-16-18-12-19-20(16)4-2/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 278.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105002012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).