1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine

C24H32N2 — CID 124631428

IUPAC1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine
SMILESCCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C24H32N2/c1-7-26-23-13-8-19(14-22(23)18(4)15-24(26,5)6)16-25-21-11-9-20(10-12-21)17(2)3/h8-14,16-18H,7,15H2,1-6H3/b25-16+/t18-/m1/s1
InChIKeyNTRWRIBRDVZOAE-OAKZWBAKSA-N
MW348.53 g/mol
LogP6.67
Rot. Bonds4

About 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine

1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine (PubChem CID 124631428) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine
PubChem CID124631428
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine
SMILESCCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C24H32N2/c1-7-26-23-13-8-19(14-22(23)18(4)15-24(26,5)6)16-25-21-11-9-20(10-12-21)17(2)3/h8-14,16-18H,7,15H2,1-6H3/b25-16+/t18-/m1/s1
InChIKeyNTRWRIBRDVZOAE-OAKZWBAKSA-N
XLogP6.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine (CID 124631428) is 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine is CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@H](C)CC1(C)C.
What is the InChIKey of 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine?
The InChIKey is NTRWRIBRDVZOAE-OAKZWBAKSA-N. The full InChI is InChI=1S/C24H32N2/c1-7-26-23-13-8-19(14-22(23)18(4)15-24(26,5)6)16-25-21-11-9-20(10-12-21)17(2)3/h8-14,16-18H,7,15H2,1-6H3/b25-16+/t18-/m1/s1.
What are the key properties of 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine?
1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine has a molecular weight of 348.53 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 124631428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).