N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline

C23H29N3 — CID 50864744

IUPACN,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(N(C)C)cc3)cc21
InChIInChI=1S/C23H29N3/c1-16-12-22-21(17(2)14-23(3,4)26(22)7)13-18(16)15-24-19-8-10-20(11-9-19)25(5)6/h8-15H,1-7H3/b24-15+
InChIKeyMGOUVWNPQCEACH-BUVRLJJBSA-N
MW347.51 g/mol
LogP5.44
Rot. Bonds3

About N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline

N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline (PubChem CID 50864744) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
PubChem CID50864744
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC NameN,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(N(C)C)cc3)cc21
InChIInChI=1S/C23H29N3/c1-16-12-22-21(17(2)14-23(3,4)26(22)7)13-18(16)15-24-19-8-10-20(11-9-19)25(5)6/h8-15H,1-7H3/b24-15+
InChIKeyMGOUVWNPQCEACH-BUVRLJJBSA-N
XLogP5.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 55.44
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
The IUPAC name of N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline (CID 50864744) is N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline is CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(N(C)C)cc3)cc21.
What is the InChIKey of N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
The InChIKey is MGOUVWNPQCEACH-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H29N3/c1-16-12-22-21(17(2)14-23(3,4)26(22)7)13-18(16)15-24-19-8-10-20(11-9-19)25(5)6/h8-15H,1-7H3/b24-15+.
What are the key properties of N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline has a molecular weight of 347.51 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline is sourced from PubChem (CID 50864744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).