N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine

C12H23NO — CID 79914759

IUPACN-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
SMILESCCNCC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H23NO/c1-2-13-10-11-5-8-14-12(9-11)6-3-4-7-12/h11,13H,2-10H2,1H3
InChIKeyIURCUKZBPRRTFR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds3

About N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine

N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine (PubChem CID 79914759) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
PubChem CID79914759
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
SMILESCCNCC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H23NO/c1-2-13-10-11-5-8-14-12(9-11)6-3-4-7-12/h11,13H,2-10H2,1H3
InChIKeyIURCUKZBPRRTFR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-ethyl-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79923385
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine
CID 79923262
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030

Frequently Asked Questions

What is the IUPAC name of N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine?
The IUPAC name of N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine (CID 79914759) is N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine.
What is the SMILES notation for N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine?
The canonical SMILES for N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine is CCNCC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine?
The InChIKey is IURCUKZBPRRTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-13-10-11-5-8-14-12(9-11)6-3-4-7-12/h11,13H,2-10H2,1H3.
What are the key properties of N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine?
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine is sourced from PubChem (CID 79914759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).