ethane;3-(ethylamino)butan-2-one

C8H19NO — CID 145148121

IUPACethane;3-(ethylamino)butan-2-one
SMILESCC.CCNC(C)C(C)=O
InChIInChI=1S/C6H13NO.C2H6/c1-4-7-5(2)6(3)8;1-2/h5,7H,4H2,1-3H3;1-2H3
InChIKeySVQMQJVHVDVGLN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.60
Rot. Bonds3

About ethane;3-(ethylamino)butan-2-one

ethane;3-(ethylamino)butan-2-one (PubChem CID 145148121) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;3-(ethylamino)butan-2-one.

Molecular Properties

Compound Nameethane;3-(ethylamino)butan-2-one
PubChem CID145148121
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;3-(ethylamino)butan-2-one
SMILESCC.CCNC(C)C(C)=O
InChIInChI=1S/C6H13NO.C2H6/c1-4-7-5(2)6(3)8;1-2/h5,7H,4H2,1-3H3;1-2H3
InChIKeySVQMQJVHVDVGLN-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
CID 160852086
CID 160852086
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
CID 58693175
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
ethane;3-(ethylamino)hexan-2-one
CID 142933892
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
N-(3-oxobutan-2-yl)propanamide
CID 22943760
2-(ethylamino)propanamide;2-methylprop-2-enoic acid
CID 174432315
(3S,4R)-3-(ethylamino)-4-methyl-5-sulfanylpentan-2-one
CID 90335980
N-ethyl-3,5-dimethylhex-3-en-2-amine
CID 103093389
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethylamino)butan-2-one?
The IUPAC name of ethane;3-(ethylamino)butan-2-one (CID 145148121) is ethane;3-(ethylamino)butan-2-one.
What is the SMILES notation for ethane;3-(ethylamino)butan-2-one?
The canonical SMILES for ethane;3-(ethylamino)butan-2-one is CC.CCNC(C)C(C)=O.
What is the InChIKey of ethane;3-(ethylamino)butan-2-one?
The InChIKey is SVQMQJVHVDVGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-4-7-5(2)6(3)8;1-2/h5,7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(ethylamino)butan-2-one?
ethane;3-(ethylamino)butan-2-one has a molecular weight of 145.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethylamino)butan-2-one is sourced from PubChem (CID 145148121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).