3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine

C13H25NO — CID 79913092

IUPAC3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
SMILESCCC(N)(CC)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-3-13(14,4-2)11-6-9-15-12(10-11)7-5-8-12/h11H,3-10,14H2,1-2H3
InChIKeyYMNUGCWMAWMMPX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds3

About 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine

3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine (PubChem CID 79913092) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
PubChem CID79913092
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
SMILESCCC(N)(CC)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-3-13(14,4-2)11-6-9-15-12(10-11)7-5-8-12/h11H,3-10,14H2,1-2H3
InChIKeyYMNUGCWMAWMMPX-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688
N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 82779843
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 114833718

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine (CID 79913092) is 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine is CCC(N)(CC)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine?
The InChIKey is YMNUGCWMAWMMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(14,4-2)11-6-9-15-12(10-11)7-5-8-12/h11H,3-10,14H2,1-2H3.
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine?
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine is sourced from PubChem (CID 79913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).