N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C24H32N2 — CID 50858629

IUPACN-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C24H32N2/c1-17-15-24(5,6)26(7)22-13-8-18(14-21(17)22)16-25-20-11-9-19(10-12-20)23(2,3)4/h8-14,16-17H,15H2,1-7H3/b25-16+
InChIKeyPEYNBVGJBFGCKB-PCLIKHOPSA-N
MW348.53 g/mol
LogP6.46
Rot. Bonds2

About N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50858629) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50858629
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C24H32N2/c1-17-15-24(5,6)26(7)22-13-8-18(14-21(17)22)16-25-20-11-9-19(10-12-20)23(2,3)4/h8-14,16-17H,15H2,1-7H3/b25-16+
InChIKeyPEYNBVGJBFGCKB-PCLIKHOPSA-N
XLogP6.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865608
N-(4-propan-2-ylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858559
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865585
N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865581
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858542
N-(4-bromo-3-chlorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858526
N-(2,4-dimethylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858531
N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858602
4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
CID 50860641
1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine
CID 124631428
N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 99885591
N-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 75560608

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50858629) is N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CC1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc21.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is PEYNBVGJBFGCKB-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H32N2/c1-17-15-24(5,6)26(7)22-13-8-18(14-21(17)22)16-25-20-11-9-19(10-12-20)23(2,3)4/h8-14,16-17H,15H2,1-7H3/b25-16+.
What are the key properties of N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 348.53 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50858629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).