ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine

C10H17N — CID 143172694

IUPACethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine
SMILESC=CC(/C=C/C)=C\N=C.CC
InChIInChI=1S/C8H11N.C2H6/c1-4-6-8(5-2)7-9-3;1-2/h4-7H,2-3H2,1H3;1-2H3/b6-4+,8-7+;
InChIKeySVFGRRXMOPUCLC-OOTSTRPFSA-N
MW151.25 g/mol
LogP3.36
Rot. Bonds3

About ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine

ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine (PubChem CID 143172694) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine
PubChem CID143172694
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine
SMILESC=CC(/C=C/C)=C\N=C.CC
InChIInChI=1S/C8H11N.C2H6/c1-4-6-8(5-2)7-9-3;1-2/h4-7H,2-3H2,1H3;1-2H3/b6-4+,8-7+;
InChIKeySVFGRRXMOPUCLC-OOTSTRPFSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.36
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

N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 139452162
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
N-[(1E,3Z,5Z)-5-(2,2-difluoroethyl)-3-(1-fluoroethyl)octa-1,3,5-trienyl]methanimine
CID 155442270

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine (CID 143172694) is ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine is C=CC(/C=C/C)=C\N=C.CC.
What is the InChIKey of ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine?
The InChIKey is SVFGRRXMOPUCLC-OOTSTRPFSA-N. The full InChI is InChI=1S/C8H11N.C2H6/c1-4-6-8(5-2)7-9-3;1-2/h4-7H,2-3H2,1H3;1-2H3/b6-4+,8-7+;.
What are the key properties of ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine?
ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1E,3E)-2-ethenylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 143172694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).