N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C11H21NO — CID 102896526

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H21NO/c1-2-12-9-10-5-8-11(13-10)6-3-4-7-11/h10,12H,2-9H2,1H3
InChIKeyPRTMXXCSEKYQQJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds3

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 102896526) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID102896526
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H21NO/c1-2-12-9-10-5-8-11(13-10)6-3-4-7-11/h10,12H,2-9H2,1H3
InChIKeyPRTMXXCSEKYQQJ-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{1-Oxaspiro[4.4]nonan-2-yl}methanamine
CID 102896528
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102897660
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
1,1,1-Trifluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-2-ol
CID 105645075

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 102896526) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is CCNCC1CCC2(CCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is PRTMXXCSEKYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-9-10-5-8-11(13-10)6-3-4-7-11/h10,12H,2-9H2,1H3.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102896526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).