[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)

C6H13N2O2Rb — CID 59898303

IUPAC[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
SMILESCCC([NH-])C(=O)N(C)OC.[Rb+]
InChIInChI=1S/C6H13N2O2.Rb/c1-4-5(7)6(9)8(2)10-3;/h5,7H,4H2,1-3H3;/q-1;+1
InChIKeyMIWISFAZOJIBQD-UHFFFAOYSA-N
MW230.65 g/mol
LogP-2.16
Rot. Bonds3

About [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)

[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+) (PubChem CID 59898303) has the molecular formula C6H13N2O2Rb and a molecular weight of 230.65 g/mol. Its IUPAC name is [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+).

Molecular Properties

Compound Name[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
PubChem CID59898303
Molecular FormulaC6H13N2O2Rb
Molecular Weight230.65 g/mol
Exact Mass230.01
IUPAC Name[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
SMILESCCC([NH-])C(=O)N(C)OC.[Rb+]
InChIInChI=1S/C6H13N2O2.Rb/c1-4-5(7)6(9)8(2)10-3;/h5,7H,4H2,1-3H3;/q-1;+1
InChIKeyMIWISFAZOJIBQD-UHFFFAOYSA-N
XLogP-2.16
TPSA53.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
N-methoxy-N-methylpropanamide
CID 11344007
(2S)-2-butoxy-N-methoxy-N-methylpropanamide
CID 172508606
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 160785911
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopentan-3-yl]carbamate
CID 118024739
N-methoxy-N,3-dimethylbutanamide
CID 10975620

Frequently Asked Questions

What is the IUPAC name of [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)?
The IUPAC name of [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+) (CID 59898303) is [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+).
What is the SMILES notation for [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)?
The canonical SMILES for [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+) is CCC([NH-])C(=O)N(C)OC.[Rb+].
What is the InChIKey of [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)?
The InChIKey is MIWISFAZOJIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O2.Rb/c1-4-5(7)6(9)8(2)10-3;/h5,7H,4H2,1-3H3;/q-1;+1.
What are the key properties of [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)?
[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+) has a molecular weight of 230.65 g/mol, XLogP of -2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+) is sourced from PubChem (CID 59898303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).