(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C16H24N2O — CID 103929918

IUPAC(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC1Cc2ccccc2N(C(=O)[C@H](N)C(C)(C)C)C1
InChIInChI=1S/C16H24N2O/c1-11-9-12-7-5-6-8-13(12)18(10-11)15(19)14(17)16(2,3)4/h5-8,11,14H,9-10,17H2,1-4H3/t11?,14-/m0/s1
InChIKeyCUPAQWUJXMXHRB-IAXJKZSUSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds1

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

(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 103929918) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID103929918
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC1Cc2ccccc2N(C(=O)[C@H](N)C(C)(C)C)C1
InChIInChI=1S/C16H24N2O/c1-11-9-12-7-5-6-8-13(12)18(10-11)15(19)14(17)16(2,3)4/h5-8,11,14H,9-10,17H2,1-4H3/t11?,14-/m0/s1
InChIKeyCUPAQWUJXMXHRB-IAXJKZSUSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
(2S)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 63523011
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55196224
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 103929918) is (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CC1Cc2ccccc2N(C(=O)[C@H](N)C(C)(C)C)C1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is CUPAQWUJXMXHRB-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-9-12-7-5-6-8-13(12)18(10-11)15(19)14(17)16(2,3)4/h5-8,11,14H,9-10,17H2,1-4H3/t11?,14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 103929918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).