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

C9H15N — CID 126488562

IUPACN-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)C(C)C
InChIInChI=1S/C9H15N/c1-8(2)9(3)6-5-7-10-4/h5-8H,4H2,1-3H3/b7-5-,9-6+
InChIKeyDWJHCQNLDWVVGS-XCZNYUDNSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

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

N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine (PubChem CID 126488562) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine
PubChem CID126488562
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)C(C)C
InChIInChI=1S/C9H15N/c1-8(2)9(3)6-5-7-10-4/h5-8H,4H2,1-3H3/b7-5-,9-6+
InChIKeyDWJHCQNLDWVVGS-XCZNYUDNSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
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,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine (CID 126488562) is N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine is C=N/C=C\C=C(/C)C(C)C.
What is the InChIKey of N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine?
The InChIKey is DWJHCQNLDWVVGS-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)9(3)6-5-7-10-4/h5-8H,4H2,1-3H3/b7-5-,9-6+.
What are the key properties of N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine?
N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4,5-dimethylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 126488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).