ethyl 4,4-dimethylcyclohexane-1-carboximidate

C11H21NO — CID 65392443

IUPACethyl 4,4-dimethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OCC)C1CCC(C)(C)CC1
InChIInChI=1S/C11H21NO/c1-4-13-10(12)9-5-7-11(2,3)8-6-9/h9,12H,4-8H2,1-3H3/b12-10-
InChIKeyDBCYZOQHDNPOCM-BENRWUELSA-N
MW183.29 g/mol
LogP3.22
Rot. Bonds2

About ethyl 4,4-dimethylcyclohexane-1-carboximidate

ethyl 4,4-dimethylcyclohexane-1-carboximidate (PubChem CID 65392443) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethyl 4,4-dimethylcyclohexane-1-carboximidate.

Molecular Properties

Compound Nameethyl 4,4-dimethylcyclohexane-1-carboximidate
PubChem CID65392443
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethyl 4,4-dimethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OCC)C1CCC(C)(C)CC1
InChIInChI=1S/C11H21NO/c1-4-13-10(12)9-5-7-11(2,3)8-6-9/h9,12H,4-8H2,1-3H3/b12-10-
InChIKeyDBCYZOQHDNPOCM-BENRWUELSA-N
XLogP3.22
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethylcyclohexane-1-carboximidate?
The IUPAC name of ethyl 4,4-dimethylcyclohexane-1-carboximidate (CID 65392443) is ethyl 4,4-dimethylcyclohexane-1-carboximidate.
What is the SMILES notation for ethyl 4,4-dimethylcyclohexane-1-carboximidate?
The canonical SMILES for ethyl 4,4-dimethylcyclohexane-1-carboximidate is [H]/N=C(\OCC)C1CCC(C)(C)CC1.
What is the InChIKey of ethyl 4,4-dimethylcyclohexane-1-carboximidate?
The InChIKey is DBCYZOQHDNPOCM-BENRWUELSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-13-10(12)9-5-7-11(2,3)8-6-9/h9,12H,4-8H2,1-3H3/b12-10-.
What are the key properties of ethyl 4,4-dimethylcyclohexane-1-carboximidate?
ethyl 4,4-dimethylcyclohexane-1-carboximidate has a molecular weight of 183.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethylcyclohexane-1-carboximidate is sourced from PubChem (CID 65392443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).