(4E)-4-methyl-N-propylhexa-1,4-dien-3-imine

C10H17N — CID 138508552

IUPAC(4E)-4-methyl-N-propylhexa-1,4-dien-3-imine
SMILESC=CC(=N\CCC)/C(C)=C/C
InChIInChI=1S/C10H17N/c1-5-8-11-10(7-3)9(4)6-2/h6-7H,3,5,8H2,1-2,4H3/b9-6+,11-10+
InChIKeyKATZQZKEQIVZMI-GOKBKIRCSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds4

About (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine

(4E)-4-methyl-N-propylhexa-1,4-dien-3-imine (PubChem CID 138508552) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-4-methyl-N-propylhexa-1,4-dien-3-imine
PubChem CID138508552
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(4E)-4-methyl-N-propylhexa-1,4-dien-3-imine
SMILESC=CC(=N\CCC)/C(C)=C/C
InChIInChI=1S/C10H17N/c1-5-8-11-10(7-3)9(4)6-2/h6-7H,3,5,8H2,1-2,4H3/b9-6+,11-10+
InChIKeyKATZQZKEQIVZMI-GOKBKIRCSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-methyl-N-propylhexa-1,4-dien-3-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 (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine?
The IUPAC name of (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine (CID 138508552) is (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine.
What is the SMILES notation for (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine?
The canonical SMILES for (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine is C=CC(=N\CCC)/C(C)=C/C.
What is the InChIKey of (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine?
The InChIKey is KATZQZKEQIVZMI-GOKBKIRCSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8-11-10(7-3)9(4)6-2/h6-7H,3,5,8H2,1-2,4H3/b9-6+,11-10+.
What are the key properties of (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine?
(4E)-4-methyl-N-propylhexa-1,4-dien-3-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methyl-N-propylhexa-1,4-dien-3-imine is sourced from PubChem (CID 138508552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).