N-methylacetamide;propan-2-ylazanium

C6H17N2O+ — CID 158450921

IUPACN-methylacetamide;propan-2-ylazanium
SMILESCC(C)[NH3+].CNC(C)=O
InChIInChI=1S/C3H7NO.C3H9N/c1-3(5)4-2;1-3(2)4/h1-2H3,(H,4,5);3H,4H2,1-2H3/p+1
InChIKeyHDYWMWCPYQFQPM-UHFFFAOYSA-O
MW133.22 g/mol
LogP-0.61
Rot. Bonds

About N-methylacetamide;propan-2-ylazanium

N-methylacetamide;propan-2-ylazanium (PubChem CID 158450921) has the molecular formula C6H17N2O+ and a molecular weight of 133.22 g/mol. Its IUPAC name is N-methylacetamide;propan-2-ylazanium.

Molecular Properties

Compound NameN-methylacetamide;propan-2-ylazanium
PubChem CID158450921
Molecular FormulaC6H17N2O+
Molecular Weight133.22 g/mol
Exact Mass133.13
IUPAC NameN-methylacetamide;propan-2-ylazanium
SMILESCC(C)[NH3+].CNC(C)=O
InChIInChI=1S/C3H7NO.C3H9N/c1-3(5)4-2;1-3(2)4/h1-2H3,(H,4,5);3H,4H2,1-2H3/p+1
InChIKeyHDYWMWCPYQFQPM-UHFFFAOYSA-O
XLogP-0.61
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium
CID 169429342
bis(N-methylacetamide);propan-2-one
CID 158104043
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
methane;N-methylacetamide
CID 169425645
CID 159040973
CID 159040973
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
ethane;methane;N-methylacetamide
CID 159401147
potassium;hydride;N-methylacetamide
CID 173418413
formaldehyde;N-methylacetamide
CID 159490973
N-methylacetamide;pentane-2,4-dione;bis(propan-2-one)
CID 91069648
propan-2-ylazanium acetate
CID 22623609
methanamine;N-methylacetamide;molecular iodine;propan-2-one;vanadium
CID 160843944

Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;propan-2-ylazanium?
The IUPAC name of N-methylacetamide;propan-2-ylazanium (CID 158450921) is N-methylacetamide;propan-2-ylazanium.
What is the SMILES notation for N-methylacetamide;propan-2-ylazanium?
The canonical SMILES for N-methylacetamide;propan-2-ylazanium is CC(C)[NH3+].CNC(C)=O.
What is the InChIKey of N-methylacetamide;propan-2-ylazanium?
The InChIKey is HDYWMWCPYQFQPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7NO.C3H9N/c1-3(5)4-2;1-3(2)4/h1-2H3,(H,4,5);3H,4H2,1-2H3/p+1.
What are the key properties of N-methylacetamide;propan-2-ylazanium?
N-methylacetamide;propan-2-ylazanium has a molecular weight of 133.22 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;propan-2-ylazanium is sourced from PubChem (CID 158450921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).