N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine

C10H13N — CID 144934353

IUPACN-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine
SMILESC=CC(=C)C(/C=C\N=C)=C/C
InChIInChI=1S/C10H13N/c1-5-9(3)10(6-2)7-8-11-4/h5-8H,1,3-4H2,2H3/b8-7-,10-6+
InChIKeyBAQOXNUCNFDTOS-SDHBEMGISA-N
MW147.22 g/mol
LogP2.89
Rot. Bonds4

About N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine

N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine (PubChem CID 144934353) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine
PubChem CID144934353
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine
SMILESC=CC(=C)C(/C=C\N=C)=C/C
InChIInChI=1S/C10H13N/c1-5-9(3)10(6-2)7-8-11-4/h5-8H,1,3-4H2,2H3/b8-7-,10-6+
InChIKeyBAQOXNUCNFDTOS-SDHBEMGISA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.89
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-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
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-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3E)-4-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 135202911
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 143467349
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
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 N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine (CID 144934353) is N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine is C=CC(=C)C(/C=C\N=C)=C/C.
What is the InChIKey of N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine?
The InChIKey is BAQOXNUCNFDTOS-SDHBEMGISA-N. The full InChI is InChI=1S/C10H13N/c1-5-9(3)10(6-2)7-8-11-4/h5-8H,1,3-4H2,2H3/b8-7-,10-6+.
What are the key properties of N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine?
N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-ethylidene-4-methylidenehexa-1,5-dienyl]methanimine is sourced from PubChem (CID 144934353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).