N'-(2-ethylcyclohexyl)-2-methylpropanimidamide

C12H24N2 — CID 63177348

IUPACN'-(2-ethylcyclohexyl)-2-methylpropanimidamide
SMILESCCC1CCCCC1/N=C(/N)C(C)C
InChIInChI=1S/C12H24N2/c1-4-10-7-5-6-8-11(10)14-12(13)9(2)3/h9-11H,4-8H2,1-3H3,(H2,13,14)
InChIKeyDPDVBQCWOPFJEO-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.97
Rot. Bonds3

About N'-(2-ethylcyclohexyl)-2-methylpropanimidamide

N'-(2-ethylcyclohexyl)-2-methylpropanimidamide (PubChem CID 63177348) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(2-ethylcyclohexyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2-ethylcyclohexyl)-2-methylpropanimidamide
PubChem CID63177348
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(2-ethylcyclohexyl)-2-methylpropanimidamide
SMILESCCC1CCCCC1/N=C(/N)C(C)C
InChIInChI=1S/C12H24N2/c1-4-10-7-5-6-8-11(10)14-12(13)9(2)3/h9-11H,4-8H2,1-3H3,(H2,13,14)
InChIKeyDPDVBQCWOPFJEO-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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'-(2-ethylcyclohexyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2-ethylcyclohexyl)-2-methylpropanimidamide (CID 63177348) is N'-(2-ethylcyclohexyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2-ethylcyclohexyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2-ethylcyclohexyl)-2-methylpropanimidamide is CCC1CCCCC1/N=C(/N)C(C)C.
What is the InChIKey of N'-(2-ethylcyclohexyl)-2-methylpropanimidamide?
The InChIKey is DPDVBQCWOPFJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-10-7-5-6-8-11(10)14-12(13)9(2)3/h9-11H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2-ethylcyclohexyl)-2-methylpropanimidamide?
N'-(2-ethylcyclohexyl)-2-methylpropanimidamide has a molecular weight of 196.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylcyclohexyl)-2-methylpropanimidamide is sourced from PubChem (CID 63177348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).