2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol

C17H33NO2 — CID 79909298

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-14(2)18-11-10-16(3,19)15-7-12-20-17(13-15)8-5-4-6-9-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyJYAVBPKFZWLFHR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol

2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 79909298) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID79909298
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-14(2)18-11-10-16(3,19)15-7-12-20-17(13-15)8-5-4-6-9-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyJYAVBPKFZWLFHR-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
CID 81023417
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
CID 79907960
3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine
CID 79894633
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
2-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 79908770
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol (CID 79909298) is 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol is CC(C)NCCC(C)(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is JYAVBPKFZWLFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(2)18-11-10-16(3,19)15-7-12-20-17(13-15)8-5-4-6-9-17/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol?
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 79909298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).