ethyl 4-ethylcyclohexane-1-carboximidate

C11H21NO — CID 65393333

IUPACethyl 4-ethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OCC)C1CCC(CC)CC1
InChIInChI=1S/C11H21NO/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h9-10,12H,3-8H2,1-2H3/b12-11-
InChIKeyHKHMNAOADJCSIC-QXMHVHEDSA-N
MW183.30 g/mol
LogP3.22
Rot. Bonds3

About ethyl 4-ethylcyclohexane-1-carboximidate

ethyl 4-ethylcyclohexane-1-carboximidate (PubChem CID 65393333) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is ethyl 4-ethylcyclohexane-1-carboximidate.

Molecular Properties

Compound Nameethyl 4-ethylcyclohexane-1-carboximidate
PubChem CID65393333
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Nameethyl 4-ethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OCC)C1CCC(CC)CC1
InChIInChI=1S/C11H21NO/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h9-10,12H,3-8H2,1-2H3/b12-11-
InChIKeyHKHMNAOADJCSIC-QXMHVHEDSA-N
XLogP3.22
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanecarboximidic acid ethyl ester
CID 12270049
Ethyl 2-(4,4-difluorocyclohexyl)ethanimidate
CID 167496112
Ethyl cyclohexanecarbimidate hydrochloride
CID 12270050
Ethyl 3-(4-pentylcyclohexyl)propanimidate;hydrochloride
CID 18605853
Ethyl 3-(4-pentylcyclohexyl)propanimidate
CID 18605854
Propan-2-yl 2-cyclohexylethanimidate;hydrochloride
CID 20084655
Propan-2-yl 2-cyclohexylethanimidate
CID 20084656
2-(3-Propan-2-yloxypropyl)cyclohexan-1-imine
CID 68121659
Methyl 5,5,7-trimethyloctanimidate
CID 89271978
Methyl 7-methyl-2-(3-methylhexyl)decanimidate
CID 126737262
Methyl 2,6-dimethyloctanimidate
CID 132024038
Methyl 2,5-dimethyloctanimidate
CID 134513318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylcyclohexane-1-carboximidate?
The IUPAC name of ethyl 4-ethylcyclohexane-1-carboximidate (CID 65393333) is ethyl 4-ethylcyclohexane-1-carboximidate.
What is the SMILES notation for ethyl 4-ethylcyclohexane-1-carboximidate?
The canonical SMILES for ethyl 4-ethylcyclohexane-1-carboximidate is [H]/N=C(\OCC)C1CCC(CC)CC1.
What is the InChIKey of ethyl 4-ethylcyclohexane-1-carboximidate?
The InChIKey is HKHMNAOADJCSIC-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h9-10,12H,3-8H2,1-2H3/b12-11-.
What are the key properties of ethyl 4-ethylcyclohexane-1-carboximidate?
ethyl 4-ethylcyclohexane-1-carboximidate has a molecular weight of 183.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylcyclohexane-1-carboximidate is sourced from PubChem (CID 65393333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).