1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C15H28N4 — CID 80611657

IUPAC1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)C1CCCCCCC1
InChIInChI=1S/C15H28N4/c1-3-16-14(11-15-17-12-18-19(15)2)13-9-7-5-4-6-8-10-13/h12-14,16H,3-11H2,1-2H3
InChIKeyCSYNYBCYWKWYGB-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 80611657) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID80611657
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)C1CCCCCCC1
InChIInChI=1S/C15H28N4/c1-3-16-14(11-15-17-12-18-19(15)2)13-9-7-5-4-6-8-10-13/h12-14,16H,3-11H2,1-2H3
InChIKeyCSYNYBCYWKWYGB-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
tert-butyl 3-[1-(ethylamino)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092517
N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
CID 113391595
[1-(2-methylcyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107194210
4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
CID 104997751
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998241
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 115689877
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 80611657) is 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is CSYNYBCYWKWYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-16-14(11-15-17-12-18-19(15)2)13-9-7-5-4-6-8-10-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 80611657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).