1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol

C16H31NO2 — CID 103921423

IUPAC1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCCOC1CC(NCC(O)CC(C)(C)C)C12CCC2
InChIInChI=1S/C16H31NO2/c1-5-19-14-9-13(16(14)7-6-8-16)17-11-12(18)10-15(2,3)4/h12-14,17-18H,5-11H2,1-4H3
InChIKeyJOOIUDFBISQDGI-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.72
Rot. Bonds6

About 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol

1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 103921423) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID103921423
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCCOC1CC(NCC(O)CC(C)(C)C)C12CCC2
InChIInChI=1S/C16H31NO2/c1-5-19-14-9-13(16(14)7-6-8-16)17-11-12(18)10-15(2,3)4/h12-14,17-18H,5-11H2,1-4H3
InChIKeyJOOIUDFBISQDGI-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

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
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
CID 64865595
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
CID 65108075
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510
1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
CID 103921424
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol (CID 103921423) is 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol is CCOC1CC(NCC(O)CC(C)(C)C)C12CCC2.
What is the InChIKey of 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is JOOIUDFBISQDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-19-14-9-13(16(14)7-6-8-16)17-11-12(18)10-15(2,3)4/h12-14,17-18H,5-11H2,1-4H3.
What are the key properties of 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103921423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).