ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine

C12H19N — CID 145149489

IUPACethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine
SMILESC=CC(=C)C(C=C)=C/N=C/C.CC
InChIInChI=1S/C10H13N.C2H6/c1-5-9(4)10(6-2)8-11-7-3;1-2/h5-8H,1-2,4H2,3H3;1-2H3/b10-8-,11-7+;
InChIKeyDOJTYCCGEWEQIK-PHNBQTRWSA-N
MW177.29 g/mol
LogP3.92
Rot. Bonds4

About ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine

ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine (PubChem CID 145149489) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine
PubChem CID145149489
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine
SMILESC=CC(=C)C(C=C)=C/N=C/C.CC
InChIInChI=1S/C10H13N.C2H6/c1-5-9(4)10(6-2)8-11-7-3;1-2/h5-8H,1-2,4H2,3H3;1-2H3/b10-8-,11-7+;
InChIKeyDOJTYCCGEWEQIK-PHNBQTRWSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(2E)-2-ethylidene-3-methylidenepent-4-enal
CID 123838343
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
CID 172960803
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
3-[(ethylideneamino)methylidene]pent-4-en-1-amine
CID 123329638
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
ethane;N-ethenylethanimine;propane
CID 143338829
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine (CID 145149489) is ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine is C=CC(=C)C(C=C)=C/N=C/C.CC.
What is the InChIKey of ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine?
The InChIKey is DOJTYCCGEWEQIK-PHNBQTRWSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-5-9(4)10(6-2)8-11-7-3;1-2/h5-8H,1-2,4H2,3H3;1-2H3/b10-8-,11-7+;.
What are the key properties of ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine?
ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine is sourced from PubChem (CID 145149489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).