N-(3-ethylpenta-1,3-dienyl)methanimine

C8H13N — CID 123289481

IUPACN-(3-ethylpenta-1,3-dienyl)methanimine
SMILESC=NC=CC(=CC)CC
InChIInChI=1S/C8H13N/c1-4-8(5-2)6-7-9-3/h4,6-7H,3,5H2,1-2H3
InChIKeyYSSWSOBNSLLHBQ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-(3-ethylpenta-1,3-dienyl)methanimine

N-(3-ethylpenta-1,3-dienyl)methanimine (PubChem CID 123289481) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(3-ethylpenta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(3-ethylpenta-1,3-dienyl)methanimine
PubChem CID123289481
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(3-ethylpenta-1,3-dienyl)methanimine
SMILESC=NC=CC(=CC)CC
InChIInChI=1S/C8H13N/c1-4-8(5-2)6-7-9-3/h4,6-7H,3,5H2,1-2H3
InChIKeyYSSWSOBNSLLHBQ-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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-(3-ethylpenta-1,3-dienyl)methanimine?
The IUPAC name of N-(3-ethylpenta-1,3-dienyl)methanimine (CID 123289481) is N-(3-ethylpenta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(3-ethylpenta-1,3-dienyl)methanimine?
The canonical SMILES for N-(3-ethylpenta-1,3-dienyl)methanimine is C=NC=CC(=CC)CC.
What is the InChIKey of N-(3-ethylpenta-1,3-dienyl)methanimine?
The InChIKey is YSSWSOBNSLLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8(5-2)6-7-9-3/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-(3-ethylpenta-1,3-dienyl)methanimine?
N-(3-ethylpenta-1,3-dienyl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpenta-1,3-dienyl)methanimine is sourced from PubChem (CID 123289481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).