Diethylideneaniline

C10H13N — CID 70417807

IUPACN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine
SMILESCC=C1C=CC=CC1N=CC
InChIInChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8,10H,1-2H3
InChIKeyDNTDJTPPOSKEAG-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.90
Rot. Bonds1

About Diethylideneaniline

Diethylideneaniline (PubChem CID 70417807) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound NameDiethylideneaniline
PubChem CID70417807
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine
SMILESCC=C1C=CC=CC1N=CC
InChIInChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8,10H,1-2H3
InChIKeyDNTDJTPPOSKEAG-UHFFFAOYSA-N
XLogP1.90
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity231

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze Diethylideneaniline with MolForge

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

Launch Full Analysis

Related Compounds

7aH-indole
CID 20614426
2-methyl-2H-indole
CID 58371059
Bis-propylideneaniline
CID 129791915
(7aR)-5-fluoro-3-methyl-7aH-indole
CID 124277104
(7aS)-5-fluoro-3-methyl-7aH-indole
CID 124277105
N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
CID 142913200
N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
CID 142913204
N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
CID 142913457
N-[(3E,5Z)-5-chloro-6-fluoro-3-methylocta-3,5,7-trien-2-yl]ethanimine
CID 144320044
N-[(3E,5E)-3-ethenyl-6-fluorohexa-3,5-dien-2-yl]prop-2-en-1-imine
CID 144407789
7aH-cyclopenta[b]pyridine
CID 16685899
8-Methyl-4a,8a-dihydroquinoline
CID 20772220

Frequently Asked Questions

What is the IUPAC name of Diethylideneaniline?
The IUPAC name of Diethylideneaniline (CID 70417807) is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for Diethylideneaniline?
The canonical SMILES for Diethylideneaniline is CC=C1C=CC=CC1N=CC.
What is the InChIKey of Diethylideneaniline?
The InChIKey is DNTDJTPPOSKEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8,10H,1-2H3.
What are the key properties of Diethylideneaniline?
Diethylideneaniline has a molecular weight of 147.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Diethylideneaniline is sourced from PubChem (CID 70417807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).