2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine

C16H30N2O — CID 102725921

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CN1CCC[C@H]2CCCC[C@H]21)C1CCOC1
InChIInChI=1S/C16H30N2O/c1-17-15(14-8-10-19-12-14)11-18-9-4-6-13-5-2-3-7-16(13)18/h13-17H,2-12H2,1H3/t13-,14?,15?,16-/m1/s1
InChIKeyJGBGQTJXEDAIEP-PRLABOORSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds4

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 102725921) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID102725921
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CN1CCC[C@H]2CCCC[C@H]21)C1CCOC1
InChIInChI=1S/C16H30N2O/c1-17-15(14-8-10-19-12-14)11-18-9-4-6-13-5-2-3-7-16(13)18/h13-17H,2-12H2,1H3/t13-,14?,15?,16-/m1/s1
InChIKeyJGBGQTJXEDAIEP-PRLABOORSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine 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

N-methyl-2-(2-methylpiperidin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104744306
2-(2-ethylpiperidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104744647
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 113448301
2-(3-ethylmorpholin-4-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448072
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-methylpropan-2-amine
CID 107505972
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 104746479
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
CID 63912128
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505825
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104746222
N-[1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745688
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
1-cyclopentyl-N-methyl-2-(3-methylmorpholin-4-yl)ethanamine
CID 104744784

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine (CID 102725921) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(CN1CCC[C@H]2CCCC[C@H]21)C1CCOC1.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is JGBGQTJXEDAIEP-PRLABOORSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-15(14-8-10-19-12-14)11-18-9-4-6-13-5-2-3-7-16(13)18/h13-17H,2-12H2,1H3/t13-,14?,15?,16-/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102725921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).