2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane

C11H24N2 — CID 143774568

IUPAC2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
SMILESCC.CC.[H]/N=C/C(C)=N/C(C)=C\C
InChIInChI=1S/C7H12N2.2C2H6/c1-4-6(2)9-7(3)5-8;2*1-2/h4-5,8H,1-3H3;2*1-2H3/b6-4-,8-5+,9-7+;;
InChIKeyUVJAWAGXODOIOM-JDUKNUOKSA-N
MW184.33 g/mol
LogP4.07
Rot. Bonds2

About 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane

2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane (PubChem CID 143774568) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane.

Molecular Properties

Compound Name2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
PubChem CID143774568
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
SMILESCC.CC.[H]/N=C/C(C)=N/C(C)=C\C
InChIInChI=1S/C7H12N2.2C2H6/c1-4-6(2)9-7(3)5-8;2*1-2/h4-5,8H,1-3H3;2*1-2H3/b6-4-,8-5+,9-7+;;
InChIKeyUVJAWAGXODOIOM-JDUKNUOKSA-N
XLogP4.07
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144508821
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
N-[(Z)-but-2-en-2-yl]iminoethanimidamide
CID 58731108
N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide
CID 143245763
methanimine;2-methylprop-2-en-1-imine
CID 145055297
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane?
The IUPAC name of 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane (CID 143774568) is 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane.
What is the SMILES notation for 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane?
The canonical SMILES for 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane is CC.CC.[H]/N=C/C(C)=N/C(C)=C\C.
What is the InChIKey of 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane?
The InChIKey is UVJAWAGXODOIOM-JDUKNUOKSA-N. The full InChI is InChI=1S/C7H12N2.2C2H6/c1-4-6(2)9-7(3)5-8;2*1-2/h4-5,8H,1-3H3;2*1-2H3/b6-4-,8-5+,9-7+;;.
What are the key properties of 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane?
2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane has a molecular weight of 184.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane is sourced from PubChem (CID 143774568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).