1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine

C16H30N2O — CID 79904682

IUPAC1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H30N2O/c1-13(17)14-5-4-9-18(12-14)15-6-10-19-16(11-15)7-2-3-8-16/h13-15H,2-12,17H2,1H3
InChIKeyYKPJGDCSPAOQGI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.54
Rot. Bonds2

About 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine

1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine (PubChem CID 79904682) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
PubChem CID79904682
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H30N2O/c1-13(17)14-5-4-9-18(12-14)15-6-10-19-16(11-15)7-2-3-8-16/h13-15H,2-12,17H2,1H3
InChIKeyYKPJGDCSPAOQGI-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 79902799
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
CID 79903255
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine (CID 79904682) is 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine?
The InChIKey is YKPJGDCSPAOQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(17)14-5-4-9-18(12-14)15-6-10-19-16(11-15)7-2-3-8-16/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine?
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 79904682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).