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

C13H26N2O — CID 106115066

IUPAC3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
SMILESCOC(CN)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C13H26N2O/c1-16-12(9-14)10-15-8-4-6-11-5-2-3-7-13(11)15/h11-13H,2-10,14H2,1H3/t11-,12?,13-/m1/s1
InChIKeyKIRVKHRCHPOIPW-LKOMHFJYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

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

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine (PubChem CID 106115066) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
PubChem CID106115066
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
SMILESCOC(CN)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C13H26N2O/c1-16-12(9-14)10-15-8-4-6-11-5-2-3-7-13(11)15/h11-13H,2-10,14H2,1H3/t11-,12?,13-/m1/s1
InChIKeyKIRVKHRCHPOIPW-LKOMHFJYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)butan-1-amine
CID 65228222
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
CID 63070084
1-(2,2-dimethoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750043
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-3-methylbutan-1-amine
CID 65320352
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-3-methylbutan-2-amine
CID 114228560
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopropan-2-ol
CID 130492481
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975

Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine?
The IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine (CID 106115066) is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine.
What is the SMILES notation for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine?
The canonical SMILES for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine is COC(CN)CN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine?
The InChIKey is KIRVKHRCHPOIPW-LKOMHFJYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-12(9-14)10-15-8-4-6-11-5-2-3-7-13(11)15/h11-13H,2-10,14H2,1H3/t11-,12?,13-/m1/s1.
What are the key properties of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine?
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine is sourced from PubChem (CID 106115066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).