butan-2-one;methanamine;molecular hydrogen;propane

C11H31NO — CID 143173024

IUPACbutan-2-one;methanamine;molecular hydrogen;propane
SMILESCCC.CCC.CCC(C)=O.CN.[H][H]
InChIInChI=1S/C4H8O.2C3H8.CH5N.H2/c1-3-4(2)5;2*1-3-2;1-2;/h3H2,1-2H3;2*3H2,1-2H3;2H2,1H3;1H
InChIKeyRMZHKKBIXMLWFE-UHFFFAOYSA-N
MW193.38 g/mol
LogP3.64
Rot. Bonds1

About butan-2-one;methanamine;molecular hydrogen;propane

butan-2-one;methanamine;molecular hydrogen;propane (PubChem CID 143173024) has the molecular formula C11H31NO and a molecular weight of 193.38 g/mol. Its IUPAC name is butan-2-one;methanamine;molecular hydrogen;propane.

Molecular Properties

Compound Namebutan-2-one;methanamine;molecular hydrogen;propane
PubChem CID143173024
Molecular FormulaC11H31NO
Molecular Weight193.38 g/mol
Exact Mass193.24
IUPAC Namebutan-2-one;methanamine;molecular hydrogen;propane
SMILESCCC.CCC.CCC(C)=O.CN.[H][H]
InChIInChI=1S/C4H8O.2C3H8.CH5N.H2/c1-3-4(2)5;2*1-3-2;1-2;/h3H2,1-2H3;2*3H2,1-2H3;2H2,1H3;1H
InChIKeyRMZHKKBIXMLWFE-UHFFFAOYSA-N
XLogP3.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-one;ethane;methanamine
CID 172563476
butan-2-one;ethane;propane
CID 169173049
butan-2-one;ethanamine
CID 160998240
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
butan-2-one;cyclohexane;propane
CID 90815721
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;methane;propan-2-one
CID 157260382
butane-2,3-dione;butan-2-one
CID 158086231

Frequently Asked Questions

What is the IUPAC name of butan-2-one;methanamine;molecular hydrogen;propane?
The IUPAC name of butan-2-one;methanamine;molecular hydrogen;propane (CID 143173024) is butan-2-one;methanamine;molecular hydrogen;propane.
What is the SMILES notation for butan-2-one;methanamine;molecular hydrogen;propane?
The canonical SMILES for butan-2-one;methanamine;molecular hydrogen;propane is CCC.CCC.CCC(C)=O.CN.[H][H].
What is the InChIKey of butan-2-one;methanamine;molecular hydrogen;propane?
The InChIKey is RMZHKKBIXMLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2C3H8.CH5N.H2/c1-3-4(2)5;2*1-3-2;1-2;/h3H2,1-2H3;2*3H2,1-2H3;2H2,1H3;1H.
What are the key properties of butan-2-one;methanamine;molecular hydrogen;propane?
butan-2-one;methanamine;molecular hydrogen;propane has a molecular weight of 193.38 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;methanamine;molecular hydrogen;propane is sourced from PubChem (CID 143173024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).