2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine

C17H31N3O — CID 116772422

IUPAC2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCNC(c1ccnn1CC)C(OCC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-18-16(15-12-13-19-20(15)5-2)17(21-6-3)14-10-8-7-9-11-14/h12-14,16-18H,4-11H2,1-3H3
InChIKeyVQIGYTZPSMDDMF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.54
Rot. Bonds8

About 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine

2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 116772422) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID116772422
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCNC(c1ccnn1CC)C(OCC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-18-16(15-12-13-19-20(15)5-2)17(21-6-3)14-10-8-7-9-11-14/h12-14,16-18H,4-11H2,1-3H3
InChIKeyVQIGYTZPSMDDMF-UHFFFAOYSA-N
XLogP3.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclohexyl-2-ethoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278818
2-cyclohexyl-2-ethoxy-N-ethyl-1-(furan-2-yl)ethanamine
CID 116772365
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116723121
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131463
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
[2-cyclohexyl-2-methoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278592

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine (CID 116772422) is 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine is CCNC(c1ccnn1CC)C(OCC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is VQIGYTZPSMDDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-18-16(15-12-13-19-20(15)5-2)17(21-6-3)14-10-8-7-9-11-14/h12-14,16-18H,4-11H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116772422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).