5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol

C16H31NO2 — CID 107270264

IUPAC5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
SMILESCCOC1CC(NCCCC(C)O)C12CCCCC2
InChIInChI=1S/C16H31NO2/c1-3-19-15-12-14(17-11-7-8-13(2)18)16(15)9-5-4-6-10-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyYPRMXNQEFHFFOR-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.86
Rot. Bonds7

About 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol

5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol (PubChem CID 107270264) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
PubChem CID107270264
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
SMILESCCOC1CC(NCCCC(C)O)C12CCCCC2
InChIInChI=1S/C16H31NO2/c1-3-19-15-12-14(17-11-7-8-13(2)18)16(15)9-5-4-6-10-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyYPRMXNQEFHFFOR-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol (CID 107270264) is 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol is CCOC1CC(NCCCC(C)O)C12CCCCC2.
What is the InChIKey of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol?
The InChIKey is YPRMXNQEFHFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-19-15-12-14(17-11-7-8-13(2)18)16(15)9-5-4-6-10-16/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol?
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol is sourced from PubChem (CID 107270264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).