2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one

C19H27NO — CID 79842188

IUPAC2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one
SMILESCc1ccc2c(c1)CCCN2CC1CCCC(C)(C)C1=O
InChIInChI=1S/C19H27NO/c1-14-8-9-17-15(12-14)7-5-11-20(17)13-16-6-4-10-19(2,3)18(16)21/h8-9,12,16H,4-7,10-11,13H2,1-3H3
InChIKeyGCICFFNIAPNKHH-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.14
Rot. Bonds2

About 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one

2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one (PubChem CID 79842188) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one
PubChem CID79842188
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one
SMILESCc1ccc2c(c1)CCCN2CC1CCCC(C)(C)C1=O
InChIInChI=1S/C19H27NO/c1-14-8-9-17-15(12-14)7-5-11-20(17)13-16-6-4-10-19(2,3)18(16)21/h8-9,12,16H,4-7,10-11,13H2,1-3H3
InChIKeyGCICFFNIAPNKHH-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 64570967
2,2-dimethyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclohexan-1-one
CID 79842210
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
2,2-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-one
CID 79866689
N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 62417651
potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
CID 63702785
2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498006
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
6-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63142917
[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine
CID 63484142
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62276943

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one (CID 79842188) is 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one is Cc1ccc2c(c1)CCCN2CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is GCICFFNIAPNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14-8-9-17-15(12-14)7-5-11-20(17)13-16-6-4-10-19(2,3)18(16)21/h8-9,12,16H,4-7,10-11,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one?
2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 79842188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).