butan-2-one;ethane;methanamine

C9H25NO — CID 172563476

IUPACbutan-2-one;ethane;methanamine
SMILESCC.CC.CCC(C)=O.CN
InChIInChI=1S/C4H8O.2C2H6.CH5N/c1-3-4(2)5;3*1-2/h3H2,1-2H3;2*1-2H3;2H2,1H3
InChIKeyDQAHVRGLKJKPRP-UHFFFAOYSA-N
MW163.30 g/mol
LogP2.61
Rot. Bonds1

About butan-2-one;ethane;methanamine

butan-2-one;ethane;methanamine (PubChem CID 172563476) has the molecular formula C9H25NO and a molecular weight of 163.30 g/mol. Its IUPAC name is butan-2-one;ethane;methanamine.

Molecular Properties

Compound Namebutan-2-one;ethane;methanamine
PubChem CID172563476
Molecular FormulaC9H25NO
Molecular Weight163.30 g/mol
Exact Mass163.19
IUPAC Namebutan-2-one;ethane;methanamine
SMILESCC.CC.CCC(C)=O.CN
InChIInChI=1S/C4H8O.2C2H6.CH5N/c1-3-4(2)5;3*1-2/h3H2,1-2H3;2*1-2H3;2H2,1H3
InChIKeyDQAHVRGLKJKPRP-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-one;ethane
CID 158905935
butan-2-one;ethane;propane
CID 169173049
butan-2-one;methanamine;molecular hydrogen;propane
CID 143173024
butan-2-one;ethanamine
CID 160998240
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane;2-methylpropane
CID 145444223
butan-2-one;N,N-dimethylmethanamine;ethane
CID 159619561
butan-2-one;oxotin
CID 57474512
acetylene;butan-2-one
CID 145415849
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;methane;propan-2-one
CID 159882043
butan-2-one;methanol;hydrate
CID 18949731

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane;methanamine?
The IUPAC name of butan-2-one;ethane;methanamine (CID 172563476) is butan-2-one;ethane;methanamine.
What is the SMILES notation for butan-2-one;ethane;methanamine?
The canonical SMILES for butan-2-one;ethane;methanamine is CC.CC.CCC(C)=O.CN.
What is the InChIKey of butan-2-one;ethane;methanamine?
The InChIKey is DQAHVRGLKJKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2C2H6.CH5N/c1-3-4(2)5;3*1-2/h3H2,1-2H3;2*1-2H3;2H2,1H3.
What are the key properties of butan-2-one;ethane;methanamine?
butan-2-one;ethane;methanamine has a molecular weight of 163.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethane;methanamine is sourced from PubChem (CID 172563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).