2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol

C14H27NO2 — CID 79907956

IUPAC2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-3-8-15-11-13(2,16)12-5-9-17-14(10-12)6-4-7-14/h12,15-16H,3-11H2,1-2H3
InChIKeyAGUXEGZMOGKYMQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds5

About 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol

2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol (PubChem CID 79907956) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
PubChem CID79907956
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-3-8-15-11-13(2,16)12-5-9-17-14(10-12)6-4-7-14/h12,15-16H,3-11H2,1-2H3
InChIKeyAGUXEGZMOGKYMQ-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
CID 79907960
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylbutan-1-amine
CID 81023004
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol?
The IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol (CID 79907956) is 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol is CCCNCC(C)(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol?
The InChIKey is AGUXEGZMOGKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-8-15-11-13(2,16)12-5-9-17-14(10-12)6-4-7-14/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol?
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol is sourced from PubChem (CID 79907956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).