2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine

C16H32N2O — CID 103227390

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H32N2O/c1-3-10-17-12-15(13-19-2)18-11-6-8-14-7-4-5-9-16(14)18/h14-17H,3-13H2,1-2H3/t14-,15?,16-/m1/s1
InChIKeyHXUJGQJIBJPGDS-YTPLPTRZSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine (PubChem CID 103227390) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
PubChem CID103227390
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H32N2O/c1-3-10-17-12-15(13-19-2)18-11-6-8-14-7-4-5-9-16(14)18/h14-17H,3-13H2,1-2H3/t14-,15?,16-/m1/s1
InChIKeyHXUJGQJIBJPGDS-YTPLPTRZSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine with MolForge

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Related Compounds

(4-Ethylcyclohexyl)[2-(4-morpholinyl)ethyl]amine
CID 782064
N-(2-morpholin-4-ylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 75433468
(1R,2S)-1-cyclohexyl-2-morpholin-4-ylpropan-1-amine
CID 134966237
2-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propoxy]ethanamine
CID 56990656
4-(3-Cyclohexyl-2-piperazin-1-ylpropyl)morpholine
CID 58786730
2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine
CID 123606415
3-cyclohexyl-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 154009104
(2R)-1-(cyclohexylmethyl)-2-(methoxymethyl)piperazine;hydrochloride
CID 165128409
(2R)-1-(cyclohexylmethyl)-2-(methoxymethyl)piperazine
CID 165128410
1-(Cyclohexylmethyl)-2-(methoxymethyl)piperazine;hydrochloride
CID 175485246
3-[[(2R)-4-(4-ethylcyclohexyl)-2-(methoxymethyl)piperazin-1-yl]methyl]-N-methylpentan-1-amine
CID 177134524
(2S)-4-(azetidin-3-ylmethyl)-1-(4-ethylcyclohexyl)-2-(methoxymethyl)piperazine;ethane
CID 177134847

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]-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine (CID 103227390) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine?
The InChIKey is HXUJGQJIBJPGDS-YTPLPTRZSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-10-17-12-15(13-19-2)18-11-6-8-14-7-4-5-9-16(14)18/h14-17H,3-13H2,1-2H3/t14-,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]-3-methoxy-N-propylpropan-1-amine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 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]-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103227390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).