1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol

C17H33NO2 — CID 79909309

IUPAC1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-15(2,3)18-13-16(4,19)14-8-11-20-17(12-14)9-6-5-7-10-17/h14,18-19H,5-13H2,1-4H3
InChIKeyDFHMMPSNYDQQHO-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.26
Rot. Bonds3

About 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol

1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol (PubChem CID 79909309) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
PubChem CID79909309
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-15(2,3)18-13-16(4,19)14-8-11-20-17(12-14)9-6-5-7-10-17/h14,18-19H,5-13H2,1-4H3
InChIKeyDFHMMPSNYDQQHO-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
CID 79907960
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
CID 81026781
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol (CID 79909309) is 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol is CC(C)(C)NCC(C)(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
The InChIKey is DFHMMPSNYDQQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(2,3)18-13-16(4,19)14-8-11-20-17(12-14)9-6-5-7-10-17/h14,18-19H,5-13H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol?
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol is sourced from PubChem (CID 79909309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).