butan-2-one;N,N-dimethylmethanamine;ethane

C9H23NO — CID 159619561

IUPACbutan-2-one;N,N-dimethylmethanamine;ethane
SMILESCC.CCC(C)=O.CN(C)C
InChIInChI=1S/C4H8O.C3H9N.C2H6/c1-3-4(2)5;1-4(2)3;1-2/h3H2,1-2H3;1-3H3;1-2H3
InChIKeyMNSIQZCFHLKSBJ-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.19
Rot. Bonds1

About butan-2-one;N,N-dimethylmethanamine;ethane

butan-2-one;N,N-dimethylmethanamine;ethane (PubChem CID 159619561) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is butan-2-one;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Namebutan-2-one;N,N-dimethylmethanamine;ethane
PubChem CID159619561
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Namebutan-2-one;N,N-dimethylmethanamine;ethane
SMILESCC.CCC(C)=O.CN(C)C
InChIInChI=1S/C4H8O.C3H9N.C2H6/c1-3-4(2)5;1-4(2)3;1-2/h3H2,1-2H3;1-3H3;1-2H3
InChIKeyMNSIQZCFHLKSBJ-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
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;ethane;methanamine
CID 172563476
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane;2-methylpropane
CID 145444223
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;methane;propan-2-one
CID 159882043
butan-2-one;oxotin
CID 57474512
acetylene;butan-2-one
CID 145415849
butan-2-one;methane;propan-2-one
CID 157260382
butane-2,3-dione;butan-2-one
CID 158086231
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029

Frequently Asked Questions

What is the IUPAC name of butan-2-one;N,N-dimethylmethanamine;ethane?
The IUPAC name of butan-2-one;N,N-dimethylmethanamine;ethane (CID 159619561) is butan-2-one;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for butan-2-one;N,N-dimethylmethanamine;ethane?
The canonical SMILES for butan-2-one;N,N-dimethylmethanamine;ethane is CC.CCC(C)=O.CN(C)C.
What is the InChIKey of butan-2-one;N,N-dimethylmethanamine;ethane?
The InChIKey is MNSIQZCFHLKSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H9N.C2H6/c1-3-4(2)5;1-4(2)3;1-2/h3H2,1-2H3;1-3H3;1-2H3.
What are the key properties of butan-2-one;N,N-dimethylmethanamine;ethane?
butan-2-one;N,N-dimethylmethanamine;ethane has a molecular weight of 161.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 159619561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).