1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide

C15H30N2O — CID 116780063

IUPAC1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
SMILESCCOC1(/C(N)=N/CC(C)C)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O/c1-6-18-15(13(16)17-11-12(2)3)9-7-14(4,5)8-10-15/h12H,6-11H2,1-5H3,(H2,16,17)
InChIKeyNENVOGQHUZZAAD-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.38
Rot. Bonds5

About 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide

1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide (PubChem CID 116780063) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
PubChem CID116780063
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
SMILESCCOC1(/C(N)=N/CC(C)C)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O/c1-6-18-15(13(16)17-11-12(2)3)9-7-14(4,5)8-10-15/h12H,6-11H2,1-5H3,(H2,16,17)
InChIKeyNENVOGQHUZZAAD-UHFFFAOYSA-N
XLogP3.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.38
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-N'-(2-methylpropyl)cycloheptane-1-carboximidamide
CID 116780064
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116750112
1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one
CID 116750123
1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
CID 83226738
1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
1-(1-ethoxy-4,4-dimethylcyclohexyl)but-3-yn-1-one
CID 116750085
ethyl 3-(1-ethoxy-4,4-dimethylcyclohexyl)-2,2-difluoro-3-oxopropanoate
CID 116774985
1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide
CID 114284287
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047535
ethyl 4-[[N'-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110912111
1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 104888487

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide?
The IUPAC name of 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide (CID 116780063) is 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide.
What is the SMILES notation for 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide?
The canonical SMILES for 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide is CCOC1(/C(N)=N/CC(C)C)CCC(C)(C)CC1.
What is the InChIKey of 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide?
The InChIKey is NENVOGQHUZZAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-18-15(13(16)17-11-12(2)3)9-7-14(4,5)8-10-15/h12H,6-11H2,1-5H3,(H2,16,17).
What are the key properties of 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide?
1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide has a molecular weight of 254.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide is sourced from PubChem (CID 116780063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).