2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine

C16H27N3 — CID 104939533

IUPAC2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
SMILESCCNCC(=Cc1ccnn1CC)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-3-17-13-15(14-8-6-5-7-9-14)12-16-10-11-18-19(16)4-2/h10-12,14,17H,3-9,13H2,1-2H3
InChIKeyRJUKQEQKVSNWCD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.48
Rot. Bonds6

About 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine

2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine (PubChem CID 104939533) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
PubChem CID104939533
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
SMILESCCNCC(=Cc1ccnn1CC)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-3-17-13-15(14-8-6-5-7-9-14)12-16-10-11-18-19(16)4-2/h10-12,14,17H,3-9,13H2,1-2H3
InChIKeyRJUKQEQKVSNWCD-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530312
(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
CID 106819285
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
2-ethylpyrazole-3-carbaldehyde
CID 7009534
(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
CID 114455135
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 103571039
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093737

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine (CID 104939533) is 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine is CCNCC(=Cc1ccnn1CC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
The InChIKey is RJUKQEQKVSNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-17-13-15(14-8-6-5-7-9-14)12-16-10-11-18-19(16)4-2/h10-12,14,17H,3-9,13H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 104939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).