1-ethoxy-4-methylcyclohexane-1-carboximidamide

C10H20N2O — CID 116740221

IUPAC1-ethoxy-4-methylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(OCC)CCC(C)CC1
InChIInChI=1S/C10H20N2O/c1-3-13-10(9(11)12)6-4-8(2)5-7-10/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyVWWSULGFOATHSR-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.91
Rot. Bonds3

About 1-ethoxy-4-methylcyclohexane-1-carboximidamide

1-ethoxy-4-methylcyclohexane-1-carboximidamide (PubChem CID 116740221) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethoxy-4-methylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-ethoxy-4-methylcyclohexane-1-carboximidamide
PubChem CID116740221
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-ethoxy-4-methylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(OCC)CCC(C)CC1
InChIInChI=1S/C10H20N2O/c1-3-13-10(9(11)12)6-4-8(2)5-7-10/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyVWWSULGFOATHSR-UHFFFAOYSA-N
XLogP1.91
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-4-methylcyclohexane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
CID 116749443
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
cyclobutyl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749325
(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749362
1-(1-ethoxy-4-methylcyclohexyl)-4-methoxybutan-1-one
CID 114854425
1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 114813326
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-one
CID 116749467
N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
CID 116779972
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylcyclohexane-1-carboximidamide?
The IUPAC name of 1-ethoxy-4-methylcyclohexane-1-carboximidamide (CID 116740221) is 1-ethoxy-4-methylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-ethoxy-4-methylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-ethoxy-4-methylcyclohexane-1-carboximidamide is [H]/N=C(\N)C1(OCC)CCC(C)CC1.
What is the InChIKey of 1-ethoxy-4-methylcyclohexane-1-carboximidamide?
The InChIKey is VWWSULGFOATHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-13-10(9(11)12)6-4-8(2)5-7-10/h8H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 1-ethoxy-4-methylcyclohexane-1-carboximidamide?
1-ethoxy-4-methylcyclohexane-1-carboximidamide has a molecular weight of 184.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylcyclohexane-1-carboximidamide is sourced from PubChem (CID 116740221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).