N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine

C9H15N — CID 126606832

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

About N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine

N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine (PubChem CID 126606832) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine
PubChem CID126606832
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C(=C/C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)8(3)7-10-4/h5,7H,4,6H2,1-3H3/b8-7-,9-5-
InChIKeyAXDNZYKJZCDSDR-MFXUOLQWSA-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'}

Analyze N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-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,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine (CID 126606832) is N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine is C=N/C=C(C)\C(=C/C)CC.
What is the InChIKey of N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine?
The InChIKey is AXDNZYKJZCDSDR-MFXUOLQWSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(6-2)8(3)7-10-4/h5,7H,4,6H2,1-3H3/b8-7-,9-5-.
What are the key properties of N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine 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-ethyl-2-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 126606832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).