N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine

C15H27NO2 — CID 113263452

IUPACN-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCC(NC1CCOC2(CCCC2)C1)C1CCOC1
InChIInChI=1S/C15H27NO2/c1-12(13-4-8-17-11-13)16-14-5-9-18-15(10-14)6-2-3-7-15/h12-14,16H,2-11H2,1H3
InChIKeyFPDMMRWXENBZFL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine

N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 113263452) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID113263452
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCC(NC1CCOC2(CCCC2)C1)C1CCOC1
InChIInChI=1S/C15H27NO2/c1-12(13-4-8-17-11-13)16-14-5-9-18-15(10-14)6-2-3-7-15/h12-14,16H,2-11H2,1H3
InChIKeyFPDMMRWXENBZFL-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
CID 115714653

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine (CID 113263452) is N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine is CC(NC1CCOC2(CCCC2)C1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is FPDMMRWXENBZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(13-4-8-17-11-13)16-14-5-9-18-15(10-14)6-2-3-7-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 113263452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).