3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone

C15H26N2O2 — CID 66250603

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone
SMILESCC1(C(=O)N2CCCC3CCCCC32)COCC1N
InChIInChI=1S/C15H26N2O2/c1-15(10-19-9-13(15)16)14(18)17-8-4-6-11-5-2-3-7-12(11)17/h11-13H,2-10,16H2,1H3
InChIKeyQAXSVLKZRCVONU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.53
Rot. Bonds1

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone (PubChem CID 66250603) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone
PubChem CID66250603
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone
SMILESCC1(C(=O)N2CCCC3CCCCC32)COCC1N
InChIInChI=1S/C15H26N2O2/c1-15(10-19-9-13(15)16)14(18)17-8-4-6-11-5-2-3-7-12(11)17/h11-13H,2-10,16H2,1H3
InChIKeyQAXSVLKZRCVONU-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone
CID 82767365
(4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 66250250
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methyloxolan-3-amine
CID 66263076
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
(4-aminooxolan-3-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 66237049
[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 115439257
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
CID 82746951
(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66263900
1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589331

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone (CID 66250603) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone is CC1(C(=O)N2CCCC3CCCCC32)COCC1N.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone?
The InChIKey is QAXSVLKZRCVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(10-19-9-13(15)16)14(18)17-8-4-6-11-5-2-3-7-12(11)17/h11-13H,2-10,16H2,1H3.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone is sourced from PubChem (CID 66250603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).