butan-2-one;ethanamine

C6H15NO — CID 160998240

IUPACbutan-2-one;ethanamine
SMILESCCC(C)=O.CCN
InChIInChI=1S/C4H8O.C2H7N/c1-3-4(2)5;1-2-3/h3H2,1-2H3;2-3H2,1H3
InChIKeyTVNKBMHWIQVITK-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.95
Rot. Bonds1

About butan-2-one;ethanamine

butan-2-one;ethanamine (PubChem CID 160998240) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is butan-2-one;ethanamine.

Molecular Properties

Compound Namebutan-2-one;ethanamine
PubChem CID160998240
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namebutan-2-one;ethanamine
SMILESCCC(C)=O.CCN
InChIInChI=1S/C4H8O.C2H7N/c1-3-4(2)5;1-2-3/h3H2,1-2H3;2-3H2,1H3
InChIKeyTVNKBMHWIQVITK-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-one;ethane;methanamine
CID 172563476
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;methane;propan-2-one
CID 159882043
acetylene;butan-2-one
CID 145415849
butan-2-one;oxotin
CID 57474512
butan-2-one;ethane;propane
CID 169173049
butan-2-one;methane;propan-2-one
CID 157260382
butane-2,3-dione;butan-2-one
CID 158086231
butan-2-one;methanamine;molecular hydrogen;propane
CID 143173024
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethanamine?
The IUPAC name of butan-2-one;ethanamine (CID 160998240) is butan-2-one;ethanamine.
What is the SMILES notation for butan-2-one;ethanamine?
The canonical SMILES for butan-2-one;ethanamine is CCC(C)=O.CCN.
What is the InChIKey of butan-2-one;ethanamine?
The InChIKey is TVNKBMHWIQVITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H7N/c1-3-4(2)5;1-2-3/h3H2,1-2H3;2-3H2,1H3.
What are the key properties of butan-2-one;ethanamine?
butan-2-one;ethanamine has a molecular weight of 117.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethanamine is sourced from PubChem (CID 160998240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).