1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one

C18H24N2O — CID 158709731

IUPAC1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Cc1ccccn1
InChIInChI=1S/C18H24N2O/c21-17(8-16-3-1-2-4-19-16)12-20-18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,20H,5-12H2
InChIKeyVUDCMEJPFQFADE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds5

About 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one

1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one (PubChem CID 158709731) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one
PubChem CID158709731
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Cc1ccccn1
InChIInChI=1S/C18H24N2O/c21-17(8-16-3-1-2-4-19-16)12-20-18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,20H,5-12H2
InChIKeyVUDCMEJPFQFADE-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantylamino)-1-phenylethanone
CID 14291475
2-(1-adamantylmethyl)pyridine
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1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one
CID 116589890
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea
CID 23736254
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-pyridin-2-ylpropan-2-one
CID 66417796
CID 140659618
CID 140659618
1-morpholin-3-yl-3-pyridin-2-ylpropan-2-one
CID 116595828
3-(1-adamantyl)-1-methyl-1-(pyridin-2-ylmethyl)thiourea
CID 13414451
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one (CID 158709731) is 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one is O=C(CNC12CC3CC(CC(C3)C1)C2)Cc1ccccn1.
What is the InChIKey of 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one?
The InChIKey is VUDCMEJPFQFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-17(8-16-3-1-2-4-19-16)12-20-18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,20H,5-12H2.
What are the key properties of 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one?
1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one has a molecular weight of 284.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 158709731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).