1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine

C16H29N3 — CID 80603195

IUPAC1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(CC(NC)C2CCCCCCC2)cn1
InChIInChI=1S/C16H29N3/c1-3-19-13-14(12-18-19)11-16(17-2)15-9-7-5-4-6-8-10-15/h12-13,15-17H,3-11H2,1-2H3
InChIKeyKGLPFHXSFXLSJG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.39
Rot. Bonds5

About 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine

1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 80603195) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
PubChem CID80603195
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(CC(NC)C2CCCCCCC2)cn1
InChIInChI=1S/C16H29N3/c1-3-19-13-14(12-18-19)11-16(17-2)15-9-7-5-4-6-8-10-15/h12-13,15-17H,3-11H2,1-2H3
InChIKeyKGLPFHXSFXLSJG-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334757
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107004226
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
[1-(3-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105232851
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998211
[2-(1-ethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105291456
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103346014
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine (CID 80603195) is 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine is CCn1cc(CC(NC)C2CCCCCCC2)cn1.
What is the InChIKey of 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is KGLPFHXSFXLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-19-13-14(12-18-19)11-16(17-2)15-9-7-5-4-6-8-10-15/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 80603195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).