N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide

C12H24N2O — CID 63176933

IUPACN'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide
SMILESCCOCC(C)/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-3-15-9-10(2)14-12(13)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14)
InChIKeyGDEAIYMWVRZCFO-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.35
Rot. Bonds5

About N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide

N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide (PubChem CID 63176933) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide
PubChem CID63176933
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide
SMILESCCOCC(C)/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-3-15-9-10(2)14-12(13)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14)
InChIKeyGDEAIYMWVRZCFO-UHFFFAOYSA-N
XLogP2.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.35
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'}

Analyze N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide?
The IUPAC name of N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide (CID 63176933) is N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide is CCOCC(C)/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide?
The InChIKey is GDEAIYMWVRZCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-15-9-10(2)14-12(13)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide?
N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide has a molecular weight of 212.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide is sourced from PubChem (CID 63176933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).