5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid

C17H23NO2 — CID 123996091

IUPAC5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid
SMILESCCC1CC/C(=N\C(C)c2ccccc2)C(C(=O)O)C1
InChIInChI=1S/C17H23NO2/c1-3-13-9-10-16(15(11-13)17(19)20)18-12(2)14-7-5-4-6-8-14/h4-8,12-13,15H,3,9-11H2,1-2H3,(H,19,20)/b18-16+
InChIKeyZNNYGVQYYPOILW-FBMGVBCBSA-N
MW273.38 g/mol
LogP4.10
Rot. Bonds4

About 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid

5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid (PubChem CID 123996091) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid
PubChem CID123996091
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid
SMILESCCC1CC/C(=N\C(C)c2ccccc2)C(C(=O)O)C1
InChIInChI=1S/C17H23NO2/c1-3-13-9-10-16(15(11-13)17(19)20)18-12(2)14-7-5-4-6-8-14/h4-8,12-13,15H,3,9-11H2,1-2H3,(H,19,20)/b18-16+
InChIKeyZNNYGVQYYPOILW-FBMGVBCBSA-N
XLogP4.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
CID 10615996
2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
CID 10708145
methyl 2-methyl-4-[(1R)-1-phenylethyl]iminooxane-3-carboxylate
CID 91369386
(2S,9R,9aS)-2-ethyl-1,2,3,4,9,9a-hexahydroacridine-9-carboxylic acid
CID 40553639
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one
CID 103352210
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
4-ethyl-2-phenylcyclohexan-1-one
CID 156783397
difluoromethylbenzene;ethylcyclopropane
CID 157034020
4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
CID 14609244
N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 4080712

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid?
The IUPAC name of 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid (CID 123996091) is 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid is CCC1CC/C(=N\C(C)c2ccccc2)C(C(=O)O)C1.
What is the InChIKey of 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid?
The InChIKey is ZNNYGVQYYPOILW-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-13-9-10-16(15(11-13)17(19)20)18-12(2)14-7-5-4-6-8-14/h4-8,12-13,15H,3,9-11H2,1-2H3,(H,19,20)/b18-16+.
What are the key properties of 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid?
5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-phenylethylimino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 123996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).