(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol

C14H27NO2 — CID 114987255

IUPAC(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
SMILESCCOC1CC(N[C@H](C)CO)C12CCCCC2
InChIInChI=1S/C14H27NO2/c1-3-17-13-9-12(15-11(2)10-16)14(13)7-5-4-6-8-14/h11-13,15-16H,3-10H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyHGDFPYLNZHWTJS-PNESKVBLSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds5

About (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol

(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol (PubChem CID 114987255) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
PubChem CID114987255
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
SMILESCCOC1CC(N[C@H](C)CO)C12CCCCC2
InChIInChI=1S/C14H27NO2/c1-3-17-13-9-12(15-11(2)10-16)14(13)7-5-4-6-8-14/h11-13,15-16H,3-10H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyHGDFPYLNZHWTJS-PNESKVBLSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 65167790
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
CID 113352135
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol (CID 114987255) is (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol is CCOC1CC(N[C@H](C)CO)C12CCCCC2.
What is the InChIKey of (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol?
The InChIKey is HGDFPYLNZHWTJS-PNESKVBLSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-17-13-9-12(15-11(2)10-16)14(13)7-5-4-6-8-14/h11-13,15-16H,3-10H2,1-2H3/t11-,12?,13?/m1/s1.
What are the key properties of (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol?
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol is sourced from PubChem (CID 114987255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).