N'-(2,2-dimethylcyclohexyl)butanimidamide

C12H24N2 — CID 79872965

IUPACN'-(2,2-dimethylcyclohexyl)butanimidamide
SMILESCCC/C(N)=N\C1CCCCC1(C)C
InChIInChI=1S/C12H24N2/c1-4-7-11(13)14-10-8-5-6-9-12(10,2)3/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyVYKCOQXCTKNXOR-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.11
Rot. Bonds3

About N'-(2,2-dimethylcyclohexyl)butanimidamide

N'-(2,2-dimethylcyclohexyl)butanimidamide (PubChem CID 79872965) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(2,2-dimethylcyclohexyl)butanimidamide.

Molecular Properties

Compound NameN'-(2,2-dimethylcyclohexyl)butanimidamide
PubChem CID79872965
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(2,2-dimethylcyclohexyl)butanimidamide
SMILESCCC/C(N)=N\C1CCCCC1(C)C
InChIInChI=1S/C12H24N2/c1-4-7-11(13)14-10-8-5-6-9-12(10,2)3/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyVYKCOQXCTKNXOR-UHFFFAOYSA-N
XLogP3.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-(2,2-dimethyloxolan-3-yl)butanimidamide
CID 130993560
N'-(2,2-dimethylcyclopentyl)cyclopentanecarboximidamide
CID 79872513
N'-(1-methylcyclopentyl)butanimidamide
CID 64688898
N'-(2,2-difluorocyclopentyl)propanimidamide
CID 131097767
N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide
CID 79872687
N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
CID 130802880
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610
N'-amino-2,2-dimethylcyclohexane-1-carboximidamide
CID 107183066
N'-(1-methylpyrrolidin-3-yl)butanimidamide
CID 63177561
1-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
N'-cyclopropylpentanimidamide
CID 79413074

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylcyclohexyl)butanimidamide?
The IUPAC name of N'-(2,2-dimethylcyclohexyl)butanimidamide (CID 79872965) is N'-(2,2-dimethylcyclohexyl)butanimidamide.
What is the SMILES notation for N'-(2,2-dimethylcyclohexyl)butanimidamide?
The canonical SMILES for N'-(2,2-dimethylcyclohexyl)butanimidamide is CCC/C(N)=N\C1CCCCC1(C)C.
What is the InChIKey of N'-(2,2-dimethylcyclohexyl)butanimidamide?
The InChIKey is VYKCOQXCTKNXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-7-11(13)14-10-8-5-6-9-12(10,2)3/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2,2-dimethylcyclohexyl)butanimidamide?
N'-(2,2-dimethylcyclohexyl)butanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylcyclohexyl)butanimidamide is sourced from PubChem (CID 79872965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).