actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one

C7H14AcNO- — CID 59116522

IUPACactinium;1-(methanidylamino)-3,3-dimethylbutan-2-one
SMILES[Ac].[CH2-]NCC(=O)C(C)(C)C
InChIInChI=1S/C7H14NO.Ac/c1-7(2,3)6(9)5-8-4;/h8H,4-5H2,1-3H3;/q-1;
InChIKeyTXAOPZKEIBNZIJ-UHFFFAOYSA-N
MW355.20 g/mol
LogP0.98
Rot. Bonds2

About actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one

actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one (PubChem CID 59116522) has the molecular formula C7H14AcNO- and a molecular weight of 355.20 g/mol. Its IUPAC name is actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Nameactinium;1-(methanidylamino)-3,3-dimethylbutan-2-one
PubChem CID59116522
Molecular FormulaC7H14AcNO-
Molecular Weight355.20 g/mol
Exact Mass355.14
IUPAC Nameactinium;1-(methanidylamino)-3,3-dimethylbutan-2-one
SMILES[Ac].[CH2-]NCC(=O)C(C)(C)C
InChIInChI=1S/C7H14NO.Ac/c1-7(2,3)6(9)5-8-4;/h8H,4-5H2,1-3H3;/q-1;
InChIKeyTXAOPZKEIBNZIJ-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[(3,3-Dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one;hydrobromide
CID 16196148
1-Amino-3,3-dimethylbutan-2-one
CID 426628
2-Butanone, 1,1'-iminobis[3,3-dimethyl-
CID 2329821
Sbb002883
CID 1415652
3,3-Dimethyl-4-methylamino-butan-2-one
CID 541550
2-Butanone, 3,3-dimethyl-1-[(1-methylethyl)amino]-
CID 2329819
3,3-Dimethyl-1-(methylamino)-2-butanone
CID 1415631
3,3-Dimethyl-1-(methylamino)butan-2-one hydrochloride
CID 53444475
3,3-Dimethyl-1-(2,2,2-trifluoroethylamino)butan-2-one
CID 116588641
3-Fluoro-3-methyl-1-(methylamino)butan-2-one
CID 165840304
1-[(3,3-Dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one bromide
CID 49876586
(3,3-Dimethyl-2-oxobutyl)azanium
CID 6969881

Frequently Asked Questions

What is the IUPAC name of actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one?
The IUPAC name of actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one (CID 59116522) is actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one.
What is the SMILES notation for actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one?
The canonical SMILES for actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one is [Ac].[CH2-]NCC(=O)C(C)(C)C.
What is the InChIKey of actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one?
The InChIKey is TXAOPZKEIBNZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.Ac/c1-7(2,3)6(9)5-8-4;/h8H,4-5H2,1-3H3;/q-1;.
What are the key properties of actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one?
actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one has a molecular weight of 355.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-(methanidylamino)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 59116522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).