ethane;3-[ethyl(methyl)amino]butan-2-one

C11H27NO — CID 177194341

IUPACethane;3-[ethyl(methyl)amino]butan-2-one
SMILESCC.CC.CCN(C)C(C)C(C)=O
InChIInChI=1S/C7H15NO.2C2H6/c1-5-8(4)6(2)7(3)9;2*1-2/h6H,5H2,1-4H3;2*1-2H3
InChIKeyVMKVGFQFBADVHR-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.97
Rot. Bonds3

About ethane;3-[ethyl(methyl)amino]butan-2-one

ethane;3-[ethyl(methyl)amino]butan-2-one (PubChem CID 177194341) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;3-[ethyl(methyl)amino]butan-2-one.

Molecular Properties

Compound Nameethane;3-[ethyl(methyl)amino]butan-2-one
PubChem CID177194341
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;3-[ethyl(methyl)amino]butan-2-one
SMILESCC.CC.CCN(C)C(C)C(C)=O
InChIInChI=1S/C7H15NO.2C2H6/c1-5-8(4)6(2)7(3)9;2*1-2/h6H,5H2,1-4H3;2*1-2H3
InChIKeyVMKVGFQFBADVHR-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-[ethyl(methyl)amino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3S)-3-[methyl(propyl)amino]butan-2-one
CID 166155780
(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
ethane;2-[ethyl(methyl)amino]propanamide
CID 176567778
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
3-[butan-2-yl(ethyl)amino]butan-2-one
CID 43795933
(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide
CID 174564655
(E)-N-ethyl-N,3-dimethylhex-3-en-2-amine
CID 163431483
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
CID 143677823
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
N-ethyl-N,2-dimethyl-3-oxobutanamide
CID 18683063

Frequently Asked Questions

What is the IUPAC name of ethane;3-[ethyl(methyl)amino]butan-2-one?
The IUPAC name of ethane;3-[ethyl(methyl)amino]butan-2-one (CID 177194341) is ethane;3-[ethyl(methyl)amino]butan-2-one.
What is the SMILES notation for ethane;3-[ethyl(methyl)amino]butan-2-one?
The canonical SMILES for ethane;3-[ethyl(methyl)amino]butan-2-one is CC.CC.CCN(C)C(C)C(C)=O.
What is the InChIKey of ethane;3-[ethyl(methyl)amino]butan-2-one?
The InChIKey is VMKVGFQFBADVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C2H6/c1-5-8(4)6(2)7(3)9;2*1-2/h6H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;3-[ethyl(methyl)amino]butan-2-one?
ethane;3-[ethyl(methyl)amino]butan-2-one has a molecular weight of 189.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[ethyl(methyl)amino]butan-2-one is sourced from PubChem (CID 177194341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).