3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol

C13H25NO2 — CID 79903001

IUPAC3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
SMILESCC(C)C(CO)NC1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO2/c1-10(2)12(9-15)14-11-4-7-16-13(8-11)5-3-6-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyLQVQXQGFXLQZSL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.69
Rot. Bonds4

About 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol

3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol (PubChem CID 79903001) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
PubChem CID79903001
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
SMILESCC(C)C(CO)NC1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO2/c1-10(2)12(9-15)14-11-4-7-16-13(8-11)5-3-6-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyLQVQXQGFXLQZSL-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
2-[(2,2-dimethyloxan-4-yl)amino]-3-methylbutan-1-ol
CID 79254749
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853
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
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol (CID 79903001) is 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol is CC(C)C(CO)NC1CCOC2(CCC2)C1.
What is the InChIKey of 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
The InChIKey is LQVQXQGFXLQZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)12(9-15)14-11-4-7-16-13(8-11)5-3-6-13/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol?
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol is sourced from PubChem (CID 79903001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).