1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide

C11H22N2O — CID 116779952

IUPAC1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
SMILESCCOC1(/C(N)=N/C)CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-4-14-11(10(12)13-3)7-5-9(2)6-8-11/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyZFXBPSROEFFMOE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.96
Rot. Bonds3

About 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide

1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide (PubChem CID 116779952) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
PubChem CID116779952
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
SMILESCCOC1(/C(N)=N/C)CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-4-14-11(10(12)13-3)7-5-9(2)6-8-11/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyZFXBPSROEFFMOE-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-ethoxy-4-methylcyclohexane-1-carboximidamide
CID 116740221
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474
N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
CID 116779972
cyclobutyl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749325
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-one
CID 116749467
3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
CID 116749443
1-(1-ethoxy-4-methylcyclohexyl)-4-methoxybutan-1-one
CID 114854425
4-methoxy-N'-methyloxane-4-carboximidamide
CID 116779939
1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide
CID 114284287
1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
CID 116780063

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide?
The IUPAC name of 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide (CID 116779952) is 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide is CCOC1(/C(N)=N/C)CCC(C)CC1.
What is the InChIKey of 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide?
The InChIKey is ZFXBPSROEFFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-11(10(12)13-3)7-5-9(2)6-8-11/h9H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide?
1-ethoxy-N',4-dimethylcyclohexane-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 1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide is sourced from PubChem (CID 116779952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).