3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol

C12H23NO — CID 586741

IUPAC3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol
SMILESOCCCC1CC2CCCCC2CN1
InChIInChI=1S/C12H23NO/c14-7-3-6-12-8-10-4-1-2-5-11(10)9-13-12/h10-14H,1-9H2
InChIKeyLFIZMYYZZNNCOZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds3

About 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol

3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol (PubChem CID 586741) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol
PubChem CID586741
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol
SMILESOCCCC1CC2CCCCC2CN1
InChIInChI=1S/C12H23NO/c14-7-3-6-12-8-10-4-1-2-5-11(10)9-13-12/h10-14H,1-9H2
InChIKeyLFIZMYYZZNNCOZ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol?
The IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol (CID 586741) is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol?
The canonical SMILES for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol is OCCCC1CC2CCCCC2CN1.
What is the InChIKey of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol?
The InChIKey is LFIZMYYZZNNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-7-3-6-12-8-10-4-1-2-5-11(10)9-13-12/h10-14H,1-9H2.
What are the key properties of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol?
3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)propan-1-ol is sourced from PubChem (CID 586741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).