N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine

C9H15N — CID 88906035

IUPACN-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C(C)=C/CC
InChIInChI=1S/C9H15N/c1-4-6-9(3)7-8-10-5-2/h5-8H,4H2,1-3H3/b8-7-,9-6-,10-5+
InChIKeySJYJSSIUKFDNMA-CEWXQRBCSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine

N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine (PubChem CID 88906035) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
PubChem CID88906035
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C(C)=C/CC
InChIInChI=1S/C9H15N/c1-4-6-9(3)7-8-10-5-2/h5-8H,4H2,1-3H3/b8-7-,9-6-,10-5+
InChIKeySJYJSSIUKFDNMA-CEWXQRBCSA-N
XLogP2.95
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 ≤ 52.95
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-methylhexa-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine (CID 88906035) is N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine is C/C=N/C=C\C(C)=C/CC.
What is the InChIKey of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine?
The InChIKey is SJYJSSIUKFDNMA-CEWXQRBCSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(3)7-8-10-5-2/h5-8H,4H2,1-3H3/b8-7-,9-6-,10-5+.
What are the key properties of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine?
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 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-methylhexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 88906035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).