1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone

C20H31NO — CID 10662063

IUPAC1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone
SMILESO=C(N1CCCC12CCCCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO/c22-18(21-8-4-7-20(21)5-2-1-3-6-20)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,1-14H2
InChIKeyWEENREXOMXZBTA-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.53
Rot. Bonds1

About 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone

1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone (PubChem CID 10662063) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone
PubChem CID10662063
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone
SMILESO=C(N1CCCC12CCCCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO/c22-18(21-8-4-7-20(21)5-2-1-3-6-20)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,1-14H2
InChIKeyWEENREXOMXZBTA-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
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1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
1-adamantyl-(2-methylpiperidin-1-yl)methanone
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1-adamantyl(1,3-oxazinan-3-yl)methanone
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1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone?
The IUPAC name of 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone (CID 10662063) is 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone?
The canonical SMILES for 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone is O=C(N1CCCC12CCCCC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone?
The InChIKey is WEENREXOMXZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c22-18(21-8-4-7-20(21)5-2-1-3-6-20)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,1-14H2.
What are the key properties of 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone?
1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone has a molecular weight of 301.47 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone is sourced from PubChem (CID 10662063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).