N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C26H36N2 — CID 50860708

IUPACN-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccc(C(C)(C)C)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C26H36N2/c1-9-28-24-14-18(2)20(15-23(24)19(3)16-26(28,7)8)17-27-22-12-10-21(11-13-22)25(4,5)6/h10-15,17,19H,9,16H2,1-8H3/b27-17+
InChIKeyLXIQGMODIDFQCV-WPWMEQJKSA-N
MW376.59 g/mol
LogP7.16
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50860708) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50860708
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC NameN-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccc(C(C)(C)C)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C26H36N2/c1-9-28-24-14-18(2)20(15-23(24)19(3)16-26(28,7)8)17-27-22-12-10-21(11-13-22)25(4,5)6/h10-15,17,19H,9,16H2,1-8H3/b27-17+
InChIKeyLXIQGMODIDFQCV-WPWMEQJKSA-N
XLogP7.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.16
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

1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
CID 99865763
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
CID 124631427
N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860611
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860626
1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 50860728
N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide
CID 99865780
N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860862
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine
CID 125043341
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 99865775
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
CID 50861116
1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50860923
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862541

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50860708) is N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CCN1c2cc(C)c(/C=N/c3ccc(C(C)(C)C)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is LXIQGMODIDFQCV-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H36N2/c1-9-28-24-14-18(2)20(15-23(24)19(3)16-26(28,7)8)17-27-22-12-10-21(11-13-22)25(4,5)6/h10-15,17,19H,9,16H2,1-8H3/b27-17+.
What are the key properties of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 376.59 g/mol, XLogP of 7.16, 3 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-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50860708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).