1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol

C15H30N2O — CID 43620319

IUPAC1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCC2CCCCC2C1
InChIInChI=1S/C15H30N2O/c1-2-8-16-10-15(18)12-17-9-7-13-5-3-4-6-14(13)11-17/h13-16,18H,2-12H2,1H3
InChIKeyOZOPOSZEBPGWDM-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds6

About 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol (PubChem CID 43620319) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
PubChem CID43620319
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCC2CCCCC2C1
InChIInChI=1S/C15H30N2O/c1-2-8-16-10-15(18)12-17-9-7-13-5-3-4-6-14(13)11-17/h13-16,18H,2-12H2,1H3
InChIKeyOZOPOSZEBPGWDM-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol with MolForge

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 55063736
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-chloropropan-2-ol
CID 112561296
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propylamino)propan-2-ol
CID 114218337
1-(2-methoxyethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 115475490
1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
CID 43266432
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-(propylamino)propan-2-ol
CID 81464324
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol (CID 43620319) is 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)CN1CCC2CCCCC2C1.
What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol?
The InChIKey is OZOPOSZEBPGWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-8-16-10-15(18)12-17-9-7-13-5-3-4-6-14(13)11-17/h13-16,18H,2-12H2,1H3.
What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol?
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43620319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).