N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide

C11H22N2O — CID 116779972

IUPACN'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
SMILESCC/N=C(\N)C1(OC)CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-4-13-10(12)11(14-3)7-5-9(2)6-8-11/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyFVOPPHMWNZQLKD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.96
Rot. Bonds3

About N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide

N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide (PubChem CID 116779972) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
PubChem CID116779972
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
SMILESCC/N=C(\N)C1(OC)CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-4-13-10(12)11(14-3)7-5-9(2)6-8-11/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyFVOPPHMWNZQLKD-UHFFFAOYSA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.96
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

1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide
CID 116780011
1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide
CID 116779982
1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952
2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749129
1-(1-methoxy-4-methylcyclohexyl)octan-1-one
CID 116749039
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
1-ethoxy-4-methylcyclohexane-1-carboximidamide
CID 116740221
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474
1-(1-ethoxy-4-methylcyclohexyl)-4-methoxybutan-1-one
CID 114854425
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide?
The IUPAC name of N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide (CID 116779972) is N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide.
What is the SMILES notation for N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide?
The canonical SMILES for N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide is CC/N=C(\N)C1(OC)CCC(C)CC1.
What is the InChIKey of N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide?
The InChIKey is FVOPPHMWNZQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13-10(12)11(14-3)7-5-9(2)6-8-11/h9H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide?
N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide has a molecular weight of 198.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide is sourced from PubChem (CID 116779972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).