N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine

C8H13N — CID 90155529

IUPACN-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)CC
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h4,6-7H,3,5H2,1-2H3/b6-4-,8-7-
InChIKeyXIBBKDDIGFJAKM-MOIRPGTBSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine

N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine (PubChem CID 90155529) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
PubChem CID90155529
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)CC
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h4,6-7H,3,5H2,1-2H3/b6-4-,8-7-
InChIKeyXIBBKDDIGFJAKM-MOIRPGTBSA-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-[(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,3E)-4-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 135202911
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
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-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 143467349

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine (CID 90155529) is N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)CC.
What is the InChIKey of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine?
The InChIKey is XIBBKDDIGFJAKM-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h4,6-7H,3,5H2,1-2H3/b6-4-,8-7-.
What are the key properties of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-2-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-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 90155529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).