methyl 4,4-dimethylcyclohexane-1-carboximidate

C10H19NO — CID 65392442

IUPACmethyl 4,4-dimethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OC)C1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO/c1-10(2)6-4-8(5-7-10)9(11)12-3/h8,11H,4-7H2,1-3H3/b11-9-
InChIKeyNERXHBDCDPKTGJ-LUAWRHEFSA-N
MW169.27 g/mol
LogP2.83
Rot. Bonds1

About methyl 4,4-dimethylcyclohexane-1-carboximidate

methyl 4,4-dimethylcyclohexane-1-carboximidate (PubChem CID 65392442) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is methyl 4,4-dimethylcyclohexane-1-carboximidate.

Molecular Properties

Compound Namemethyl 4,4-dimethylcyclohexane-1-carboximidate
PubChem CID65392442
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemethyl 4,4-dimethylcyclohexane-1-carboximidate
SMILES[H]/N=C(\OC)C1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO/c1-10(2)6-4-8(5-7-10)9(11)12-3/h8,11H,4-7H2,1-3H3/b11-9-
InChIKeyNERXHBDCDPKTGJ-LUAWRHEFSA-N
XLogP2.83
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.83
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 methyl 4,4-dimethylcyclohexane-1-carboximidate?
The IUPAC name of methyl 4,4-dimethylcyclohexane-1-carboximidate (CID 65392442) is methyl 4,4-dimethylcyclohexane-1-carboximidate.
What is the SMILES notation for methyl 4,4-dimethylcyclohexane-1-carboximidate?
The canonical SMILES for methyl 4,4-dimethylcyclohexane-1-carboximidate is [H]/N=C(\OC)C1CCC(C)(C)CC1.
What is the InChIKey of methyl 4,4-dimethylcyclohexane-1-carboximidate?
The InChIKey is NERXHBDCDPKTGJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)6-4-8(5-7-10)9(11)12-3/h8,11H,4-7H2,1-3H3/b11-9-.
What are the key properties of methyl 4,4-dimethylcyclohexane-1-carboximidate?
methyl 4,4-dimethylcyclohexane-1-carboximidate has a molecular weight of 169.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethylcyclohexane-1-carboximidate is sourced from PubChem (CID 65392442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).