4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline

C23H23N3 — CID 12752582

IUPAC4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
SMILESCCn1c2ccccc2c2cc(/C=N/c3ccc(N(C)C)cc3)ccc21
InChIInChI=1S/C23H23N3/c1-4-26-22-8-6-5-7-20(22)21-15-17(9-14-23(21)26)16-24-18-10-12-19(13-11-18)25(2)3/h5-16H,4H2,1-3H3/b24-16+
InChIKeyRFKXQJYYYPYKDB-LFVJCYFKSA-N
MW341.46 g/mol
LogP5.63
Rot. Bonds4

About 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline

4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline (PubChem CID 12752582) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
PubChem CID12752582
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
SMILESCCn1c2ccccc2c2cc(/C=N/c3ccc(N(C)C)cc3)ccc21
InChIInChI=1S/C23H23N3/c1-4-26-22-8-6-5-7-20(22)21-15-17(9-14-23(21)26)16-24-18-10-12-19(13-11-18)25(2)3/h5-16H,4H2,1-3H3/b24-16+
InChIKeyRFKXQJYYYPYKDB-LFVJCYFKSA-N
XLogP5.63
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
CID 23989157
N-(9-ethylcarbazol-3-yl)-1-(3-methylphenyl)methanimine
CID 12752584
1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 4570449
1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 781157
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine
CID 78146609
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 23960642
4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline
CID 6872335
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol
CID 132560861

Frequently Asked Questions

What is the IUPAC name of 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline (CID 12752582) is 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline is CCn1c2ccccc2c2cc(/C=N/c3ccc(N(C)C)cc3)ccc21.
What is the InChIKey of 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline?
The InChIKey is RFKXQJYYYPYKDB-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N3/c1-4-26-22-8-6-5-7-20(22)21-15-17(9-14-23(21)26)16-24-18-10-12-19(13-11-18)25(2)3/h5-16H,4H2,1-3H3/b24-16+.
What are the key properties of 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline?
4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline has a molecular weight of 341.46 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 12752582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).