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

C26H36N2 — CID 50860611

IUPACN-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)CC3C)cc1
InChIInChI=1S/C26H36N2/c1-7-9-10-21-11-13-23(14-12-21)27-18-22-16-24-20(4)17-26(5,6)28(8-2)25(24)15-19(22)3/h11-16,18,20H,7-10,17H2,1-6H3/b27-18+
InChIKeyIEPSNPBXEHKXSY-OVVQPSECSA-N
MW376.59 g/mol
LogP7.20
Rot. Bonds6

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

N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50860611) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50860611
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC NameN-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)CC3C)cc1
InChIInChI=1S/C26H36N2/c1-7-9-10-21-11-13-23(14-12-21)27-18-22-16-24-20(4)17-26(5,6)28(8-2)25(24)15-19(22)3/h11-16,18,20H,7-10,17H2,1-6H3/b27-18+
InChIKeyIEPSNPBXEHKXSY-OVVQPSECSA-N
XLogP7.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.20
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-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860708
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-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 99865775
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862541
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50861559
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine
CID 125043341
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
CID 50861116

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50860611) is N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CCCCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)CC3C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is IEPSNPBXEHKXSY-OVVQPSECSA-N. The full InChI is InChI=1S/C26H36N2/c1-7-9-10-21-11-13-23(14-12-21)27-18-22-16-24-20(4)17-26(5,6)28(8-2)25(24)15-19(22)3/h11-16,18,20H,7-10,17H2,1-6H3/b27-18+.
What are the key properties of N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(4-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 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50860611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).