8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H28N2O — CID 102899377

IUPAC8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H28N2O/c17-12-9-13-3-4-14(10-12)18(13)11-15-5-8-16(19-15)6-1-2-7-16/h12-15H,1-11,17H2
InChIKeyNKUNOQNHMMOBKA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.43
Rot. Bonds2

About 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 102899377) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID102899377
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H28N2O/c17-12-9-13-3-4-14(10-12)18(13)11-15-5-8-16(19-15)6-1-2-7-16/h12-15H,1-11,17H2
InChIKeyNKUNOQNHMMOBKA-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110540
(1R,5R)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110543
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
9-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79071464
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137

Frequently Asked Questions

What is the IUPAC name of 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 102899377) is 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2CC1CCC2(CCCC2)O1.
What is the InChIKey of 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NKUNOQNHMMOBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c17-12-9-13-3-4-14(10-12)18(13)11-15-5-8-16(19-15)6-1-2-7-16/h12-15H,1-11,17H2.
What are the key properties of 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 264.41 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 102899377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).