4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one

C17H25NO — CID 63484285

IUPAC4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
SMILESCC1Cc2ccccc2N(CCC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H25NO/c1-13-11-14-7-5-6-8-15(14)18(12-13)10-9-16(19)17(2,3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyNECLZPNBEIAYEH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds3

About 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one

4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one (PubChem CID 63484285) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
PubChem CID63484285
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
SMILESCC1Cc2ccccc2N(CCC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H25NO/c1-13-11-14-7-5-6-8-15(14)18(12-13)10-9-16(19)17(2,3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyNECLZPNBEIAYEH-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoic acid
CID 76999886
2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide
CID 79626505
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 63465644
2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791398
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63466530
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one (CID 63484285) is 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one is CC1Cc2ccccc2N(CCC(=O)C(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
The InChIKey is NECLZPNBEIAYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-11-14-7-5-6-8-15(14)18(12-13)10-9-16(19)17(2,3)4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one has a molecular weight of 259.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one is sourced from PubChem (CID 63484285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).