N-[(Z)-but-2-enylidene]ethanimidamide;ethane

C8H16N2 — CID 142188991

IUPACN-[(Z)-but-2-enylidene]ethanimidamide;ethane
SMILESCC.[H]/N=C(C)/N=C/C=C\C
InChIInChI=1S/C6H10N2.C2H6/c1-3-4-5-8-6(2)7;1-2/h3-5,7H,1-2H3;1-2H3/b4-3-,7-6+,8-5+;
InChIKeyUGGVMTJTHWFPAA-XTSIIWEVSA-N
MW140.23 g/mol
LogP2.66
Rot. Bonds1

About N-[(Z)-but-2-enylidene]ethanimidamide;ethane

N-[(Z)-but-2-enylidene]ethanimidamide;ethane (PubChem CID 142188991) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-but-2-enylidene]ethanimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-but-2-enylidene]ethanimidamide;ethane
PubChem CID142188991
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-but-2-enylidene]ethanimidamide;ethane
SMILESCC.[H]/N=C(C)/N=C/C=C\C
InChIInChI=1S/C6H10N2.C2H6/c1-3-4-5-8-6(2)7;1-2/h3-5,7H,1-2H3;1-2H3/b4-3-,7-6+,8-5+;
InChIKeyUGGVMTJTHWFPAA-XTSIIWEVSA-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 N-[(Z)-but-2-enylidene]ethanimidamide;ethane?
The IUPAC name of N-[(Z)-but-2-enylidene]ethanimidamide;ethane (CID 142188991) is N-[(Z)-but-2-enylidene]ethanimidamide;ethane.
What is the SMILES notation for N-[(Z)-but-2-enylidene]ethanimidamide;ethane?
The canonical SMILES for N-[(Z)-but-2-enylidene]ethanimidamide;ethane is CC.[H]/N=C(C)/N=C/C=C\C.
What is the InChIKey of N-[(Z)-but-2-enylidene]ethanimidamide;ethane?
The InChIKey is UGGVMTJTHWFPAA-XTSIIWEVSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-3-4-5-8-6(2)7;1-2/h3-5,7H,1-2H3;1-2H3/b4-3-,7-6+,8-5+;.
What are the key properties of N-[(Z)-but-2-enylidene]ethanimidamide;ethane?
N-[(Z)-but-2-enylidene]ethanimidamide;ethane 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 N-[(Z)-but-2-enylidene]ethanimidamide;ethane is sourced from PubChem (CID 142188991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).