2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone

C22H34N2O — CID 1459399

IUPAC2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCC1CCCCC1
InChIInChI=1S/C22H34N2O/c1-16-10-11-20-19(12-16)17(2)13-22(3,4)24(20)21(25)15-23-14-18-8-6-5-7-9-18/h10-12,17-18,23H,5-9,13-15H2,1-4H3/t17-/m0/s1
InChIKeyJFRHNYYIUAFXIJ-KRWDZBQOSA-N
MW342.53 g/mol
LogP4.78
Rot. Bonds4

About 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone

2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone (PubChem CID 1459399) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
PubChem CID1459399
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCC1CCCCC1
InChIInChI=1S/C22H34N2O/c1-16-10-11-20-19(12-16)17(2)13-22(3,4)24(20)21(25)15-23-14-18-8-6-5-7-9-18/h10-12,17-18,23H,5-9,13-15H2,1-4H3/t17-/m0/s1
InChIKeyJFRHNYYIUAFXIJ-KRWDZBQOSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone (CID 1459399) is 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone is Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone?
The InChIKey is JFRHNYYIUAFXIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N2O/c1-16-10-11-20-19(12-16)17(2)13-22(3,4)24(20)21(25)15-23-14-18-8-6-5-7-9-18/h10-12,17-18,23H,5-9,13-15H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone?
2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone has a molecular weight of 342.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone is sourced from PubChem (CID 1459399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).