N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane

C9H18N2 — CID 143774549

IUPACN'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane
SMILESC=N/C(C)=N/C(C)=C\C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-5-6(2)9-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b6-5-,9-7+;
InChIKeyZZTAJFSTWHPUMT-HMERWLGPSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds1

About N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane

N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane (PubChem CID 143774549) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane
PubChem CID143774549
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane
SMILESC=N/C(C)=N/C(C)=C\C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-5-6(2)9-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b6-5-,9-7+;
InChIKeyZZTAJFSTWHPUMT-HMERWLGPSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
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-en-2-yl]-N-methylideneethanimidamide;ethane?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane (CID 143774549) is N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane is C=N/C(C)=N/C(C)=C\C.CC.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane?
The InChIKey is ZZTAJFSTWHPUMT-HMERWLGPSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-5-6(2)9-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b6-5-,9-7+;.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane?
N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane has a molecular weight of 154.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane is sourced from PubChem (CID 143774549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).