2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone

C15H26N2O — CID 54871495

IUPAC2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNC2CC2)C2CCCCC12
InChIInChI=1S/C15H26N2O/c1-11-8-9-17(14-5-3-2-4-13(11)14)15(18)10-16-12-6-7-12/h11-14,16H,2-10H2,1H3
InChIKeyKLKSBGWYYQZSGI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds3

About 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone

2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone (PubChem CID 54871495) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
PubChem CID54871495
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNC2CC2)C2CCCCC12
InChIInChI=1S/C15H26N2O/c1-11-8-9-17(14-5-3-2-4-13(11)14)15(18)10-16-12-6-7-12/h11-14,16H,2-10H2,1H3
InChIKeyKLKSBGWYYQZSGI-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(cyclopentylamino)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040519
1-[2-[(4R,4aS,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 98755493
1-cyclohexyl-3-[4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]urea
CID 55931291
1-[(4R,4aS,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 100625441
1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210734
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
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
[2-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 71887972
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
2-(cyclopentylamino)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957365
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone (CID 54871495) is 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone is CC1CCN(C(=O)CNC2CC2)C2CCCCC12.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
The InChIKey is KLKSBGWYYQZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-8-9-17(14-5-3-2-4-13(11)14)15(18)10-16-12-6-7-12/h11-14,16H,2-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone?
2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone has a molecular weight of 250.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 54871495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).