2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one

C14H26N2O — CID 61266812

IUPAC2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(C)N)C2CCCCC12
InChIInChI=1S/C14H26N2O/c1-10-8-9-16(13(17)14(2,3)15)12-7-5-4-6-11(10)12/h10-12H,4-9,15H2,1-3H3
InChIKeyZZRKLJRPOFFSHR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds1

About 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one

2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 61266812) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
PubChem CID61266812
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(C)N)C2CCCCC12
InChIInChI=1S/C14H26N2O/c1-10-8-9-16(13(17)14(2,3)15)12-7-5-4-6-11(10)12/h10-12H,4-9,15H2,1-3H3
InChIKeyZZRKLJRPOFFSHR-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one with MolForge

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Related Compounds

3-amino-2,2,3-trimethyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one
CID 65269856
3-amino-2,2-dimethyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 115426411
3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one
CID 113416205
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913359
5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
CID 107435155
2-amino-4-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one
CID 54871473
cis-[2-[(4R,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] (1R,2S)-2-nitrocyclopropane-1-carboxylate
CID 100909932
cis-[2-[(4R,4aS,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] (1R,2S)-2-nitrocyclopropane-1-carboxylate
CID 100909934
2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
CID 54871495
[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
CID 97092506
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116
(2S)-2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897452

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one (CID 61266812) is 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)(C)N)C2CCCCC12.
What is the InChIKey of 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is ZZRKLJRPOFFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-8-9-16(13(17)14(2,3)15)12-7-5-4-6-11(10)12/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?
2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 61266812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).