2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine

C15H25N3 — CID 116661724

IUPAC2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(CC1=CCCCC1)c1cnn(CC)c1
InChIInChI=1S/C15H25N3/c1-3-16-15(10-13-8-6-5-7-9-13)14-11-17-18(4-2)12-14/h8,11-12,15-16H,3-7,9-10H2,1-2H3
InChIKeyOIADTJOKFBLUNO-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.44
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine

2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 116661724) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID116661724
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(CC1=CCCCC1)c1cnn(CC)c1
InChIInChI=1S/C15H25N3/c1-3-16-15(10-13-8-6-5-7-9-13)14-11-17-18(4-2)12-14/h8,11-12,15-16H,3-7,9-10H2,1-2H3
InChIKeyOIADTJOKFBLUNO-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114660885
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine (CID 116661724) is 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine is CCNC(CC1=CCCCC1)c1cnn(CC)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is OIADTJOKFBLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-16-15(10-13-8-6-5-7-9-13)14-11-17-18(4-2)12-14/h8,11-12,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine?
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 116661724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).