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

C8H13N — CID 135161270

IUPACN-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)CC
InChIInChI=1S/C8H13N/c1-4-8(5-2)6-7-9-3/h4,6-7H,3,5H2,1-2H3/b7-6-,8-4-
InChIKeyYSSWSOBNSLLHBQ-BGTGQFSUSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

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

N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine (PubChem CID 135161270) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine
PubChem CID135161270
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)CC
InChIInChI=1S/C8H13N/c1-4-8(5-2)6-7-9-3/h4,6-7H,3,5H2,1-2H3/b7-6-,8-4-
InChIKeyYSSWSOBNSLLHBQ-BGTGQFSUSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine (CID 135161270) is N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine is C=N/C=C\C(=C/C)CC.
What is the InChIKey of N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine?
The InChIKey is YSSWSOBNSLLHBQ-BGTGQFSUSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8(5-2)6-7-9-3/h4,6-7H,3,5H2,1-2H3/b7-6-,8-4-.
What are the key properties of N-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-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-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 135161270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).