1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol

C15H29NO2 — CID 65108075

IUPAC1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
SMILESCCOC1CC(NCC(C)(O)CC)C12CCCC2
InChIInChI=1S/C15H29NO2/c1-4-14(3,17)11-16-12-10-13(18-5-2)15(12)8-6-7-9-15/h12-13,16-17H,4-11H2,1-3H3
InChIKeyJUSRYYCVOCFFPB-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.47
Rot. Bonds6

About 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol

1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol (PubChem CID 65108075) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
PubChem CID65108075
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
SMILESCCOC1CC(NCC(C)(O)CC)C12CCCC2
InChIInChI=1S/C15H29NO2/c1-4-14(3,17)11-16-12-10-13(18-5-2)15(12)8-6-7-9-15/h12-13,16-17H,4-11H2,1-3H3
InChIKeyJUSRYYCVOCFFPB-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
CID 103921801
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498
1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103921423
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol (CID 65108075) is 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol is CCOC1CC(NCC(C)(O)CC)C12CCCC2.
What is the InChIKey of 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol?
The InChIKey is JUSRYYCVOCFFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-14(3,17)11-16-12-10-13(18-5-2)15(12)8-6-7-9-15/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol?
1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).