(2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine

C11H19N — CID 122521316

IUPAC(2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C(C)/C=N/CCCC
InChIInChI=1S/C11H19N/c1-4-6-8-11(3)10-12-9-7-5-2/h4,6,8,10H,5,7,9H2,1-3H3/b6-4-,11-8-,12-10+
InChIKeyZMDWVHRQTWIEKS-KNVNXGPGSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds5

About (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine

(2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine (PubChem CID 122521316) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine
PubChem CID122521316
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C(C)/C=N/CCCC
InChIInChI=1S/C11H19N/c1-4-6-8-11(3)10-12-9-7-5-2/h4,6,8,10H,5,7,9H2,1-3H3/b6-4-,11-8-,12-10+
InChIKeyZMDWVHRQTWIEKS-KNVNXGPGSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-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 (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine (CID 122521316) is (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine is C/C=C\C=C(C)/C=N/CCCC.
What is the InChIKey of (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine?
The InChIKey is ZMDWVHRQTWIEKS-KNVNXGPGSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-8-11(3)10-12-9-7-5-2/h4,6,8,10H,5,7,9H2,1-3H3/b6-4-,11-8-,12-10+.
What are the key properties of (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine?
(2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-butyl-2-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 122521316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).