N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine

C9H15N — CID 129074589

IUPACN-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine
SMILESC=CC[C@@H](/C=C\N=C)CC
InChIInChI=1S/C9H15N/c1-4-6-9(5-2)7-8-10-3/h4,7-9H,1,3,5-6H2,2H3/b8-7-/t9-/m0/s1
InChIKeyJWNSRQBXWNMQPX-FUOZMLNRSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds5

About N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine

N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine (PubChem CID 129074589) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine
PubChem CID129074589
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine
SMILESC=CC[C@@H](/C=C\N=C)CC
InChIInChI=1S/C9H15N/c1-4-6-9(5-2)7-8-10-3/h4,7-9H,1,3,5-6H2,2H3/b8-7-/t9-/m0/s1
InChIKeyJWNSRQBXWNMQPX-FUOZMLNRSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine?
The IUPAC name of N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine (CID 129074589) is N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine is C=CC[C@@H](/C=C\N=C)CC.
What is the InChIKey of N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine?
The InChIKey is JWNSRQBXWNMQPX-FUOZMLNRSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(5-2)7-8-10-3/h4,7-9H,1,3,5-6H2,2H3/b8-7-/t9-/m0/s1.
What are the key properties of N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine?
N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine is sourced from PubChem (CID 129074589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).