[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium

C14H24NO+ — CID 7064893

IUPAC[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium
SMILESC[NH2+][C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12,15H,3-8H2,1-2H3/p+1/t9-,10?,11?,12?,14?/m0/s1
InChIKeyWSZNXOWXMNCLMF-BRZBPJHZSA-O
MW222.35 g/mol
LogP1.35
Rot. Bonds3

About [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium

[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium (PubChem CID 7064893) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium
PubChem CID7064893
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Name[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium
SMILESC[NH2+][C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12,15H,3-8H2,1-2H3/p+1/t9-,10?,11?,12?,14?/m0/s1
InChIKeyWSZNXOWXMNCLMF-BRZBPJHZSA-O
XLogP1.35
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-propan-2-ylazanium
CID 7470790
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
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
[2-(1-adamantyl)-1-amino-2-oxoethyl] carbamate
CID 175398617
N'-(2-methylpropanoyl)adamantane-1-carbohydrazide
CID 2869304
N,N-bis(2-methylpropyl)adamantane-1-carboxamide
CID 5210533
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium (CID 7064893) is [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium is C[NH2+][C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is WSZNXOWXMNCLMF-BRZBPJHZSA-O. The full InChI is InChI=1S/C14H23NO/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12,15H,3-8H2,1-2H3/p+1/t9-,10?,11?,12?,14?/m0/s1.
What are the key properties of [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium?
[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 222.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 7064893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).