2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine

C12H23NO — CID 130585875

IUPAC2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine
SMILESNCCC1CCCC2(CCCCC2)O1
InChIInChI=1S/C12H23NO/c13-10-6-11-5-4-9-12(14-11)7-2-1-3-8-12/h11H,1-10,13H2
InChIKeySNOMTGKTIRRMBQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.61
Rot. Bonds2

About 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine

2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine (PubChem CID 130585875) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine
PubChem CID130585875
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine
SMILESNCCC1CCCC2(CCCCC2)O1
InChIInChI=1S/C12H23NO/c13-10-6-11-5-4-9-12(14-11)7-2-1-3-8-12/h11H,1-10,13H2
InChIKeySNOMTGKTIRRMBQ-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
2-(5-cyclobutyl-5-methyloxolan-2-yl)ethanamine
CID 130690656
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine (CID 130585875) is 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine is NCCC1CCCC2(CCCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine?
The InChIKey is SNOMTGKTIRRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-6-11-5-4-9-12(14-11)7-2-1-3-8-12/h11H,1-10,13H2.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine?
2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine is sourced from PubChem (CID 130585875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).