(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol

C15H29NO2 — CID 129413626

IUPAC(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H29NO2/c1-12(2)18-11-14(17)10-16-9-5-7-13-6-3-4-8-15(13)16/h12-15,17H,3-11H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeySXOMCMACBUEOQL-RBSFLKMASA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds5

About (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol

(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 129413626) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID129413626
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H29NO2/c1-12(2)18-11-14(17)10-16-9-5-7-13-6-3-4-8-15(13)16/h12-15,17H,3-11H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeySXOMCMACBUEOQL-RBSFLKMASA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
CID 63989070
2-[1-(2-hydroxy-3-propan-2-yloxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339076
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
1-(2-cyclopentylpyrrolidin-1-yl)pentan-2-ol
CID 62044329
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635453
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclohexylethanol
CID 102727879
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopropan-2-ol
CID 130492481
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol
CID 112561733
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 129413626) is (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is SXOMCMACBUEOQL-RBSFLKMASA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)18-11-14(17)10-16-9-5-7-13-6-3-4-8-15(13)16/h12-15,17H,3-11H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 129413626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).