2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine

C16H27N3O — CID 114660885

IUPAC2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
SMILESCCNC(CC1=CCCCC1)c1c(OC)cnn1CC
InChIInChI=1S/C16H27N3O/c1-4-17-14(11-13-9-7-6-8-10-13)16-15(20-3)12-18-19(16)5-2/h9,12,14,17H,4-8,10-11H2,1-3H3
InChIKeyHNPHINFTKQMYNT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.45
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine

2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine (PubChem CID 114660885) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
PubChem CID114660885
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
SMILESCCNC(CC1=CCCCC1)c1c(OC)cnn1CC
InChIInChI=1S/C16H27N3O/c1-4-17-14(11-13-9-7-6-8-10-13)16-15(20-3)12-18-19(16)5-2/h9,12,14,17H,4-8,10-11H2,1-3H3
InChIKeyHNPHINFTKQMYNT-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660901
[2-(cyclohexen-1-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105270067
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
[2-(cyclohexen-1-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105270013
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 116661724
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine (CID 114660885) is 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine is CCNC(CC1=CCCCC1)c1c(OC)cnn1CC.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
The InChIKey is HNPHINFTKQMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-14(11-13-9-7-6-8-10-13)16-15(20-3)12-18-19(16)5-2/h9,12,14,17H,4-8,10-11H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine?
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine is sourced from PubChem (CID 114660885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).