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

C8H16N2 — CID 144597216

IUPACethane;N-(2-methylprop-2-enylidene)ethanimidamide
SMILESCC.[H]/N=C(C)/N=C/C(=C)C
InChIInChI=1S/C6H10N2.C2H6/c1-5(2)4-8-6(3)7;1-2/h4,7H,1H2,2-3H3;1-2H3/b7-6+,8-4+;
InChIKeyPEQYUSXKCDFWPX-SQKQPZEOSA-N
MW140.23 g/mol
LogP2.66
Rot. Bonds1

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

ethane;N-(2-methylprop-2-enylidene)ethanimidamide (PubChem CID 144597216) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;N-(2-methylprop-2-enylidene)ethanimidamide.

Molecular Properties

Compound Nameethane;N-(2-methylprop-2-enylidene)ethanimidamide
PubChem CID144597216
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;N-(2-methylprop-2-enylidene)ethanimidamide
SMILESCC.[H]/N=C(C)/N=C/C(=C)C
InChIInChI=1S/C6H10N2.C2H6/c1-5(2)4-8-6(3)7;1-2/h4,7H,1H2,2-3H3;1-2H3/b7-6+,8-4+;
InChIKeyPEQYUSXKCDFWPX-SQKQPZEOSA-N
XLogP2.66
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.66
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 ethane;N-(2-methylprop-2-enylidene)ethanimidamide?
The IUPAC name of ethane;N-(2-methylprop-2-enylidene)ethanimidamide (CID 144597216) 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.[H]/N=C(C)/N=C/C(=C)C.
What is the InChIKey of ethane;N-(2-methylprop-2-enylidene)ethanimidamide?
The InChIKey is PEQYUSXKCDFWPX-SQKQPZEOSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-5(2)4-8-6(3)7;1-2/h4,7H,1H2,2-3H3;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 140.23 g/mol, XLogP of 2.66, 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 144597216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).