4-(ethylideneamino)-2,5-dimethylbenzaldehyde

C11H13NO — CID 163372470

IUPAC4-(ethylideneamino)-2,5-dimethylbenzaldehyde
SMILESC/C=N/c1cc(C)c(C=O)cc1C
InChIInChI=1S/C11H13NO/c1-4-12-11-6-8(2)10(7-13)5-9(11)3/h4-7H,1-3H3/b12-4+
InChIKeyXMKSANXSCMDVHS-UUILKARUSA-N
MW175.23 g/mol
LogP2.84
Rot. Bonds2

About 4-(ethylideneamino)-2,5-dimethylbenzaldehyde

4-(ethylideneamino)-2,5-dimethylbenzaldehyde (PubChem CID 163372470) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(ethylideneamino)-2,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(ethylideneamino)-2,5-dimethylbenzaldehyde
PubChem CID163372470
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-(ethylideneamino)-2,5-dimethylbenzaldehyde
SMILESC/C=N/c1cc(C)c(C=O)cc1C
InChIInChI=1S/C11H13NO/c1-4-12-11-6-8(2)10(7-13)5-9(11)3/h4-7H,1-3H3/b12-4+
InChIKeyXMKSANXSCMDVHS-UUILKARUSA-N
XLogP2.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(ethylideneamino)-2,5-dimethylbenzaldehyde 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 4-(ethylideneamino)-2,5-dimethylbenzaldehyde?
The IUPAC name of 4-(ethylideneamino)-2,5-dimethylbenzaldehyde (CID 163372470) is 4-(ethylideneamino)-2,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-(ethylideneamino)-2,5-dimethylbenzaldehyde?
The canonical SMILES for 4-(ethylideneamino)-2,5-dimethylbenzaldehyde is C/C=N/c1cc(C)c(C=O)cc1C.
What is the InChIKey of 4-(ethylideneamino)-2,5-dimethylbenzaldehyde?
The InChIKey is XMKSANXSCMDVHS-UUILKARUSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-12-11-6-8(2)10(7-13)5-9(11)3/h4-7H,1-3H3/b12-4+.
What are the key properties of 4-(ethylideneamino)-2,5-dimethylbenzaldehyde?
4-(ethylideneamino)-2,5-dimethylbenzaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-2,5-dimethylbenzaldehyde is sourced from PubChem (CID 163372470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).