N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine

C16H30N2O — CID 79895087

IUPACN-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(CN1CCCCC1)NC1CCOC2(CCC2)C1
InChIInChI=1S/C16H30N2O/c1-14(13-18-9-3-2-4-10-18)17-15-6-11-19-16(12-15)7-5-8-16/h14-15,17H,2-13H2,1H3
InChIKeyYIRVDCWMWAQDBY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds4

About N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine

N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895087) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895087
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(CN1CCCCC1)NC1CCOC2(CCC2)C1
InChIInChI=1S/C16H30N2O/c1-14(13-18-9-3-2-4-10-18)17-15-6-11-19-16(12-15)7-5-8-16/h14-15,17H,2-13H2,1H3
InChIKeyYIRVDCWMWAQDBY-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895086
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895087) is N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine is CC(CN1CCCCC1)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is YIRVDCWMWAQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(13-18-9-3-2-4-10-18)17-15-6-11-19-16(12-15)7-5-8-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 266.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).