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

C15H28N4 — CID 80603042

IUPAC1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
SMILESCCn1ncnc1CC(NC)C1CCCCCCC1
InChIInChI=1S/C15H28N4/c1-3-19-15(17-12-18-19)11-14(16-2)13-9-7-5-4-6-8-10-13/h12-14,16H,3-11H2,1-2H3
InChIKeySNGHQZBTTOSAHL-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.79
Rot. Bonds5

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

1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine (PubChem CID 80603042) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
PubChem CID80603042
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
SMILESCCn1ncnc1CC(NC)C1CCCCCCC1
InChIInChI=1S/C15H28N4/c1-3-19-15(17-12-18-19)11-14(16-2)13-9-7-5-4-6-8-10-13/h12-14,16H,3-11H2,1-2H3
InChIKeySNGHQZBTTOSAHL-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
1-cyclohexyl-3-(2-ethyl-1,2,4-triazol-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771535
1-cyclohexyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116772250
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116723427
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
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002052
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 83228490

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine (CID 80603042) is 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine is CCn1ncnc1CC(NC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The InChIKey is SNGHQZBTTOSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-19-15(17-12-18-19)11-14(16-2)13-9-7-5-4-6-8-10-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 80603042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).