methanamine;1-(methylamino)propan-2-one

C5H14N2O — CID 169429634

IUPACmethanamine;1-(methylamino)propan-2-one
SMILESCN.CNCC(C)=O
InChIInChI=1S/C4H9NO.CH5N/c1-4(6)3-5-2;1-2/h5H,3H2,1-2H3;2H2,1H3
InChIKeyRSPBHLYXEIBMQI-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.63
Rot. Bonds2

About methanamine;1-(methylamino)propan-2-one

methanamine;1-(methylamino)propan-2-one (PubChem CID 169429634) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is methanamine;1-(methylamino)propan-2-one.

Molecular Properties

Compound Namemethanamine;1-(methylamino)propan-2-one
PubChem CID169429634
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Namemethanamine;1-(methylamino)propan-2-one
SMILESCN.CNCC(C)=O
InChIInChI=1S/C4H9NO.CH5N/c1-4(6)3-5-2;1-2/h5H,3H2,1-2H3;2H2,1H3
InChIKeyRSPBHLYXEIBMQI-UHFFFAOYSA-N
XLogP-0.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methylamino)propan-2-one
CID 12270070
1-(Methylamino)propan-2-one hydrochloride
CID 56773723
2-Methylamino-3-butanone
CID 21639832
1-(2-Oxopropylamino)propan-2-one
CID 19940200
1-(Propylamino)propan-2-one
CID 20153956
1-(Ethylamino)propan-2-one
CID 20759975
(3S)-3-(methylamino)butan-2-one
CID 29920158
3-(N,N-diethylamino)-2-oxo-propylamine
CID 83815211
1-Fluoro-1-(methylamino)propan-2-one
CID 54015150
1-Fluoro-3-(methylamino)propan-2-one
CID 88087573
1-[(4-Aminobutyl)amino]propan-2-one
CID 89166237
1-(1-Fluoropropylamino)propan-2-one
CID 154670589

Frequently Asked Questions

What is the IUPAC name of methanamine;1-(methylamino)propan-2-one?
The IUPAC name of methanamine;1-(methylamino)propan-2-one (CID 169429634) is methanamine;1-(methylamino)propan-2-one.
What is the SMILES notation for methanamine;1-(methylamino)propan-2-one?
The canonical SMILES for methanamine;1-(methylamino)propan-2-one is CN.CNCC(C)=O.
What is the InChIKey of methanamine;1-(methylamino)propan-2-one?
The InChIKey is RSPBHLYXEIBMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH5N/c1-4(6)3-5-2;1-2/h5H,3H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;1-(methylamino)propan-2-one?
methanamine;1-(methylamino)propan-2-one has a molecular weight of 118.18 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-(methylamino)propan-2-one is sourced from PubChem (CID 169429634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).