(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol

C13H25NO2 — CID 104980931

IUPAC(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
SMILESCCOC1CC(N[C@@H](CC)CO)C12CCC2
InChIInChI=1S/C13H25NO2/c1-3-10(9-15)14-11-8-12(16-4-2)13(11)6-5-7-13/h10-12,14-15H,3-9H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyBUQVAKPZPFLRIB-UNXYVOJBSA-N
MW227.35 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol

(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol (PubChem CID 104980931) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
PubChem CID104980931
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
SMILESCCOC1CC(N[C@@H](CC)CO)C12CCC2
InChIInChI=1S/C13H25NO2/c1-3-10(9-15)14-11-8-12(16-4-2)13(11)6-5-7-13/h10-12,14-15H,3-9H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyBUQVAKPZPFLRIB-UNXYVOJBSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
CID 65169180
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
CID 103271742
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
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
N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294431
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 103921397
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol (CID 104980931) is (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol is CCOC1CC(N[C@@H](CC)CO)C12CCC2.
What is the InChIKey of (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol?
The InChIKey is BUQVAKPZPFLRIB-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-10(9-15)14-11-8-12(16-4-2)13(11)6-5-7-13/h10-12,14-15H,3-9H2,1-2H3/t10-,11?,12?/m0/s1.
What are the key properties of (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol?
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol is sourced from PubChem (CID 104980931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).