ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine

C7H14N2 — CID 144508821

IUPACethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESCC.[H]/N=C/C(C)=C\N=C
InChIInChI=1S/C5H8N2.C2H6/c1-5(3-6)4-7-2;1-2/h3-4,6H,2H2,1H3;1-2H3/b5-4-,6-3+;
InChIKeyCVOOAYRKFSHDOR-OLEHIIJFSA-N
MW126.20 g/mol
LogP2.27
Rot. Bonds2

About ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine

ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 144508821) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Nameethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID144508821
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESCC.[H]/N=C/C(C)=C\N=C
InChIInChI=1S/C5H8N2.C2H6/c1-5(3-6)4-7-2;1-2/h3-4,6H,2H2,1H3;1-2H3/b5-4-,6-3+;
InChIKeyCVOOAYRKFSHDOR-OLEHIIJFSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.27
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

(Z)-N',2-dimethylbut-2-ene-1,4-diimine
CID 167038959
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium
CID 145336360
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
CID 144911563
ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine
CID 143482492
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
2,3-dimethylbutane-2,3-diol;(2Z)-2,4-dimethylpenta-2,4-dien-1-imine
CID 142397669
2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
CID 143774568
(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
CID 156548781

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine (CID 144508821) is ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine is CC.[H]/N=C/C(C)=C\N=C.
What is the InChIKey of ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is CVOOAYRKFSHDOR-OLEHIIJFSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5(3-6)4-7-2;1-2/h3-4,6H,2H2,1H3;1-2H3/b5-4-,6-3+;.
What are the key properties of ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 126.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 144508821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).