ethane;N-(2-methylprop-2-enylidene)ethanimidamide

C12H28N2 — CID 145404883

IUPACethane;N-(2-methylprop-2-enylidene)ethanimidamide
SMILESCC.CC.CC.[H]/N=C(C)/N=C/C(=C)C
InChIInChI=1S/C6H10N2.3C2H6/c1-5(2)4-8-6(3)7;3*1-2/h4,7H,1H2,2-3H3;3*1-2H3/b7-6+,8-4+;;;
InChIKeyMWAOALDCIYERJJ-AGLZHPLVSA-N
MW200.37 g/mol
LogP4.71
Rot. Bonds1

About ethane;N-(2-methylprop-2-enylidene)ethanimidamide

ethane;N-(2-methylprop-2-enylidene)ethanimidamide (PubChem CID 145404883) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;N-(2-methylprop-2-enylidene)ethanimidamide.

Molecular Properties

Compound Nameethane;N-(2-methylprop-2-enylidene)ethanimidamide
PubChem CID145404883
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;N-(2-methylprop-2-enylidene)ethanimidamide
SMILESCC.CC.CC.[H]/N=C(C)/N=C/C(=C)C
InChIInChI=1S/C6H10N2.3C2H6/c1-5(2)4-8-6(3)7;3*1-2/h4,7H,1H2,2-3H3;3*1-2H3/b7-6+,8-4+;;;
InChIKeyMWAOALDCIYERJJ-AGLZHPLVSA-N
XLogP4.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.71
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'}

Analyze ethane;N-(2-methylprop-2-enylidene)ethanimidamide 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 ethane;N-(2-methylprop-2-enylidene)ethanimidamide?
The IUPAC name of ethane;N-(2-methylprop-2-enylidene)ethanimidamide (CID 145404883) is ethane;N-(2-methylprop-2-enylidene)ethanimidamide.
What is the SMILES notation for ethane;N-(2-methylprop-2-enylidene)ethanimidamide?
The canonical SMILES for ethane;N-(2-methylprop-2-enylidene)ethanimidamide is CC.CC.CC.[H]/N=C(C)/N=C/C(=C)C.
What is the InChIKey of ethane;N-(2-methylprop-2-enylidene)ethanimidamide?
The InChIKey is MWAOALDCIYERJJ-AGLZHPLVSA-N. The full InChI is InChI=1S/C6H10N2.3C2H6/c1-5(2)4-8-6(3)7;3*1-2/h4,7H,1H2,2-3H3;3*1-2H3/b7-6+,8-4+;;;.
What are the key properties of ethane;N-(2-methylprop-2-enylidene)ethanimidamide?
ethane;N-(2-methylprop-2-enylidene)ethanimidamide has a molecular weight of 200.37 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-2-enylidene)ethanimidamide is sourced from PubChem (CID 145404883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).