5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol

C17H33NO2 — CID 103921801

IUPAC5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCOC1CC(NCC(C)(C)CCCO)C12CCCC2
InChIInChI=1S/C17H33NO2/c1-4-20-15-12-14(17(15)9-5-6-10-17)18-13-16(2,3)8-7-11-19/h14-15,18-19H,4-13H2,1-3H3
InChIKeyZJFLDZIIILVXMR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds8

About 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol

5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 103921801) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID103921801
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCOC1CC(NCC(C)(C)CCCO)C12CCCC2
InChIInChI=1S/C17H33NO2/c1-4-20-15-12-14(17(15)9-5-6-10-17)18-13-16(2,3)8-7-11-19/h14-15,18-19H,4-13H2,1-3H3
InChIKeyZJFLDZIIILVXMR-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103921301
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
CID 106147029
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol (CID 103921801) is 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol is CCOC1CC(NCC(C)(C)CCCO)C12CCCC2.
What is the InChIKey of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is ZJFLDZIIILVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-20-15-12-14(17(15)9-5-6-10-17)18-13-16(2,3)8-7-11-19/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103921801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).