N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide

C12H24N2 — CID 64749964

IUPACN'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\C1CCC(C)C(C)C1
InChIInChI=1S/C12H24N2/c1-8(2)12(13)14-11-6-5-9(3)10(4)7-11/h8-11H,5-7H2,1-4H3,(H2,13,14)
InChIKeyRJJUVOUFNMDTSU-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.82
Rot. Bonds2

About N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide

N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide (PubChem CID 64749964) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide
PubChem CID64749964
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\C1CCC(C)C(C)C1
InChIInChI=1S/C12H24N2/c1-8(2)12(13)14-11-6-5-9(3)10(4)7-11/h8-11H,5-7H2,1-4H3,(H2,13,14)
InChIKeyRJJUVOUFNMDTSU-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide?
The IUPAC name of N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide (CID 64749964) is N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide is CC(C)/C(N)=N\C1CCC(C)C(C)C1.
What is the InChIKey of N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide?
The InChIKey is RJJUVOUFNMDTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-8(2)12(13)14-11-6-5-9(3)10(4)7-11/h8-11H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide?
N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide has a molecular weight of 196.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylcyclohexyl)-2-methylpropanimidamide is sourced from PubChem (CID 64749964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).