3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol

C12H23NO2 — CID 83176706

IUPAC3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
SMILESCC(CCO)NC1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO2/c1-10(3-7-14)13-11-4-8-15-12(9-11)5-2-6-12/h10-11,13-14H,2-9H2,1H3
InChIKeyVXGNXLSNVZIOTI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds4

About 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol

3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol (PubChem CID 83176706) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
PubChem CID83176706
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
SMILESCC(CCO)NC1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO2/c1-10(3-7-14)13-11-4-8-15-12(9-11)5-2-6-12/h10-11,13-14H,2-9H2,1H3
InChIKeyVXGNXLSNVZIOTI-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol with MolForge

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Related Compounds

N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895087
4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol
CID 106159687
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79895294
N,N-dimethyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79894932
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol (CID 83176706) is 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol is CC(CCO)NC1CCOC2(CCC2)C1.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
The InChIKey is VXGNXLSNVZIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(3-7-14)13-11-4-8-15-12(9-11)5-2-6-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol is sourced from PubChem (CID 83176706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).