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

C15H28N2O — CID 113416205

IUPAC3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one
SMILESCC(N)C(C)C(=O)N1CCC(C)C2CCCCC21
InChIInChI=1S/C15H28N2O/c1-10-8-9-17(15(18)11(2)12(3)16)14-7-5-4-6-13(10)14/h10-14H,4-9,16H2,1-3H3
InChIKeyONAKESPXTFCDHD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds2

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

3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 113416205) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one
PubChem CID113416205
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one
SMILESCC(N)C(C)C(=O)N1CCC(C)C2CCCCC21
InChIInChI=1S/C15H28N2O/c1-10-8-9-17(15(18)11(2)12(3)16)14-7-5-4-6-13(10)14/h10-14H,4-9,16H2,1-3H3
InChIKeyONAKESPXTFCDHD-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 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) is 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one is CC(N)C(C)C(=O)N1CCC(C)C2CCCCC21.
What is the InChIKey of 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is ONAKESPXTFCDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-8-9-17(15(18)11(2)12(3)16)14-7-5-4-6-13(10)14/h10-14H,4-9,16H2,1-3H3.
What are the key properties of 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one?
3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 113416205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).