methanamine;bis(N-methylacetamide);propan-2-one

C10H25N3O3 — CID 157204854

IUPACmethanamine;bis(N-methylacetamide);propan-2-one
SMILESCC(C)=O.CN.CNC(C)=O.CNC(C)=O
InChIInChI=1S/2C3H7NO.C3H6O.CH5N/c2*1-3(5)4-2;1-3(2)4;1-2/h2*1-2H3,(H,4,5);1-2H3;2H2,1H3
InChIKeyARFQAKFLTNGQQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP-0.33
Rot. Bonds

About methanamine;bis(N-methylacetamide);propan-2-one

methanamine;bis(N-methylacetamide);propan-2-one (PubChem CID 157204854) has the molecular formula C10H25N3O3 and a molecular weight of 235.33 g/mol. Its IUPAC name is methanamine;bis(N-methylacetamide);propan-2-one.

Molecular Properties

Compound Namemethanamine;bis(N-methylacetamide);propan-2-one
PubChem CID157204854
Molecular FormulaC10H25N3O3
Molecular Weight235.33 g/mol
Exact Mass235.19
IUPAC Namemethanamine;bis(N-methylacetamide);propan-2-one
SMILESCC(C)=O.CN.CNC(C)=O.CNC(C)=O
InChIInChI=1S/2C3H7NO.C3H6O.CH5N/c2*1-3(5)4-2;1-3(2)4;1-2/h2*1-2H3,(H,4,5);1-2H3;2H2,1H3
InChIKeyARFQAKFLTNGQQS-UHFFFAOYSA-N
XLogP-0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylacetamide;N-methylpropanamide
CID 17815339
CID 19758971
CID 19758971
N,N-dimethylacetamide;N-methylacetamide
CID 21328725
N-methylacetamide;propan-2-one
CID 21466986
butan-2-one;N-methylacetamide
CID 22118125
acetamide;N-methylacetamide
CID 22906249
CID 54071189
CID 54071189
N-methylacetamide;N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide
CID 87229203
bis(N-methylacetamide);hydrate
CID 88429707
N-methylacetamide;N-methylpropanamide
CID 88773303
ethane;N-methylacetamide;propan-1-amine
CID 90749732
butane;N-methylacetamide
CID 90774894

Frequently Asked Questions

What is the IUPAC name of methanamine;bis(N-methylacetamide);propan-2-one?
The IUPAC name of methanamine;bis(N-methylacetamide);propan-2-one (CID 157204854) is methanamine;bis(N-methylacetamide);propan-2-one.
What is the SMILES notation for methanamine;bis(N-methylacetamide);propan-2-one?
The canonical SMILES for methanamine;bis(N-methylacetamide);propan-2-one is CC(C)=O.CN.CNC(C)=O.CNC(C)=O.
What is the InChIKey of methanamine;bis(N-methylacetamide);propan-2-one?
The InChIKey is ARFQAKFLTNGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NO.C3H6O.CH5N/c2*1-3(5)4-2;1-3(2)4;1-2/h2*1-2H3,(H,4,5);1-2H3;2H2,1H3.
What are the key properties of methanamine;bis(N-methylacetamide);propan-2-one?
methanamine;bis(N-methylacetamide);propan-2-one has a molecular weight of 235.33 g/mol, XLogP of -0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;bis(N-methylacetamide);propan-2-one is sourced from PubChem (CID 157204854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).