[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium

C16H28NO+ — CID 7470790

IUPAC[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium
SMILESCC(C)[NH2+][C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-10(2)17-11(3)15(18)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14,17H,4-9H2,1-3H3/p+1/t11-,12?,13?,14?,16?/m1/s1
InChIKeyITAAOLAOFMHPDF-UWJCENJNSA-O
MW250.41 g/mol
LogP2.13
Rot. Bonds4

About [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium

[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium (PubChem CID 7470790) has the molecular formula C16H28NO+ and a molecular weight of 250.41 g/mol. Its IUPAC name is [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium
PubChem CID7470790
Molecular FormulaC16H28NO+
Molecular Weight250.41 g/mol
Exact Mass250.22
IUPAC Name[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium
SMILESCC(C)[NH2+][C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-10(2)17-11(3)15(18)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14,17H,4-9H2,1-3H3/p+1/t11-,12?,13?,14?,16?/m1/s1
InChIKeyITAAOLAOFMHPDF-UWJCENJNSA-O
XLogP2.13
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium
CID 7064893
1-(1-adamantyl)-2-chloropropan-1-one
CID 87401227
(2R)-1-(1-adamantyl)-2-bromopropan-1-one
CID 7058463
1-(1-adamantyl)-2,2-dihydroxyethanone
CID 15174047
(2S)-1-(1-adamantyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 40818229
1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride
CID 21236485
acetic acid;adamantane-1-carboxylic acid
CID 67530595
1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one chloride
CID 21235387
1-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]propan-1-one chloride
CID 53351420
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
N'-(2-methylpropanoyl)adamantane-1-carbohydrazide
CID 2869304
N,N-bis(2-methylpropyl)adamantane-1-carboxamide
CID 5210533

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium?
The IUPAC name of [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium (CID 7470790) is [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium is CC(C)[NH2+][C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium?
The InChIKey is ITAAOLAOFMHPDF-UWJCENJNSA-O. The full InChI is InChI=1S/C16H27NO/c1-10(2)17-11(3)15(18)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14,17H,4-9H2,1-3H3/p+1/t11-,12?,13?,14?,16?/m1/s1.
What are the key properties of [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium?
[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium has a molecular weight of 250.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium is sourced from PubChem (CID 7470790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).