bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium

C12H33N4O2+ — CID 169429342

IUPACbis(N-methylacetamide);propan-2-amine;propan-2-ylazanium
SMILESCC(C)N.CC(C)[NH3+].CNC(C)=O.CNC(C)=O
InChIInChI=1S/2C3H7NO.2C3H9N/c2*1-3(5)4-2;2*1-3(2)4/h2*1-2H3,(H,4,5);2*3H,4H2,1-2H3/p+1
InChIKeyQXFQQHYZWJDIEZ-UHFFFAOYSA-O
MW265.42 g/mol
LogP-0.51
Rot. Bonds

About bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium

bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium (PubChem CID 169429342) has the molecular formula C12H33N4O2+ and a molecular weight of 265.42 g/mol. Its IUPAC name is bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium.

Molecular Properties

Compound Namebis(N-methylacetamide);propan-2-amine;propan-2-ylazanium
PubChem CID169429342
Molecular FormulaC12H33N4O2+
Molecular Weight265.42 g/mol
Exact Mass265.26
IUPAC Namebis(N-methylacetamide);propan-2-amine;propan-2-ylazanium
SMILESCC(C)N.CC(C)[NH3+].CNC(C)=O.CNC(C)=O
InChIInChI=1S/2C3H7NO.2C3H9N/c2*1-3(5)4-2;2*1-3(2)4/h2*1-2H3,(H,4,5);2*3H,4H2,1-2H3/p+1
InChIKeyQXFQQHYZWJDIEZ-UHFFFAOYSA-O
XLogP-0.51
TPSA111.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylacetamide;propan-2-ylazanium
CID 158450921
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
bis(N-methylacetamide);propan-2-one
CID 158104043
methane;N-methylacetamide
CID 169425645
CID 159040973
CID 159040973
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
methanamine;N-methylacetamide;molecular iodine;propan-2-one;vanadium
CID 160843944
potassium;hydride;N-methylacetamide
CID 173418413
ethane;methane;N-methylacetamide
CID 159401147
formaldehyde;N-methylacetamide
CID 159490973
N-methylacetamide;pentane-2,4-dione;bis(propan-2-one)
CID 91069648
propan-2-ylazanium acetate
CID 22623609

Frequently Asked Questions

What is the IUPAC name of bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium?
The IUPAC name of bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium (CID 169429342) is bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium.
What is the SMILES notation for bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium?
The canonical SMILES for bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium is CC(C)N.CC(C)[NH3+].CNC(C)=O.CNC(C)=O.
What is the InChIKey of bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium?
The InChIKey is QXFQQHYZWJDIEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C3H7NO.2C3H9N/c2*1-3(5)4-2;2*1-3(2)4/h2*1-2H3,(H,4,5);2*3H,4H2,1-2H3/p+1.
What are the key properties of bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium?
bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium has a molecular weight of 265.42 g/mol, XLogP of -0.51, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium is sourced from PubChem (CID 169429342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).