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

C14H26N2O — CID 102726846

IUPAC5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C14H26N2O/c17-13-8-12(15-9-13)10-16-7-3-5-11-4-1-2-6-14(11)16/h11-15,17H,1-10H2/t11-,12?,13?,14-/m1/s1
InChIKeyDVNNUYQATXIYIX-BLYZHGLHSA-N
MW238.37 g/mol
LogP1.36
Rot. Bonds2

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

5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 102726846) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID102726846
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C14H26N2O/c17-13-8-12(15-9-13)10-16-7-3-5-11-4-1-2-6-14(11)16/h11-15,17H,1-10H2/t11-,12?,13?,14-/m1/s1
InChIKeyDVNNUYQATXIYIX-BLYZHGLHSA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4aR,8aR)-1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726885
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 66056767
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466
1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320906
1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114430782
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855662
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297
5-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 66056950
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)but-2-en-1-amine
CID 77110447

Frequently Asked Questions

What is the IUPAC name of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol (CID 102726846) is 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol is OC1CNC(CN2CCC[C@H]3CCCC[C@H]32)C1.
What is the InChIKey of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is DVNNUYQATXIYIX-BLYZHGLHSA-N. The full InChI is InChI=1S/C14H26N2O/c17-13-8-12(15-9-13)10-16-7-3-5-11-4-1-2-6-14(11)16/h11-15,17H,1-10H2/t11-,12?,13?,14-/m1/s1.
What are the key properties of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol?
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 238.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 102726846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).