N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine

C9H15N — CID 142050584

IUPACN-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine
SMILESCC/C=C\C=C/N=C/CC
InChIInChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h5-9H,3-4H2,1-2H3/b6-5-,9-7-,10-8+
InChIKeyUOEJIEPZJNPEOC-YPJWYIIZSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds4

About N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine

N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine (PubChem CID 142050584) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine
PubChem CID142050584
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine
SMILESCC/C=C\C=C/N=C/CC
InChIInChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h5-9H,3-4H2,1-2H3/b6-5-,9-7-,10-8+
InChIKeyUOEJIEPZJNPEOC-YPJWYIIZSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

Analyze N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine 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,3Z)-hexa-1,3-dienyl]propan-1-imine?
The IUPAC name of N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine (CID 142050584) is N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine.
What is the SMILES notation for N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine?
The canonical SMILES for N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine is CC/C=C\C=C/N=C/CC.
What is the InChIKey of N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine?
The InChIKey is UOEJIEPZJNPEOC-YPJWYIIZSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h5-9H,3-4H2,1-2H3/b6-5-,9-7-,10-8+.
What are the key properties of N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine?
N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine is sourced from PubChem (CID 142050584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).