3-[butan-2-yl(ethyl)amino]butan-2-one

C10H21NO — CID 43795933

IUPAC3-[butan-2-yl(ethyl)amino]butan-2-one
SMILESCCC(C)N(CC)C(C)C(C)=O
InChIInChI=1S/C10H21NO/c1-6-8(3)11(7-2)9(4)10(5)12/h8-9H,6-7H2,1-5H3
InChIKeyWCLIXXLYRUTQHF-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.08
Rot. Bonds5

About 3-[butan-2-yl(ethyl)amino]butan-2-one

3-[butan-2-yl(ethyl)amino]butan-2-one (PubChem CID 43795933) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]butan-2-one.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]butan-2-one
PubChem CID43795933
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[butan-2-yl(ethyl)amino]butan-2-one
SMILESCCC(C)N(CC)C(C)C(C)=O
InChIInChI=1S/C10H21NO/c1-6-8(3)11(7-2)9(4)10(5)12/h8-9H,6-7H2,1-5H3
InChIKeyWCLIXXLYRUTQHF-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one
CID 62035780
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
2-[2-carboxypropyl(3-oxobutan-2-yl)amino]butanoic acid
CID 82329397
ethane;N-ethyl-N-propan-2-ylbutan-2-amine
CID 143592166
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
2-[butan-2-yl(ethyl)amino]butanehydrazide
CID 63571401
2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
CID 63571581
2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide
CID 62036844
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
N-ethyl-N,2-dimethyl-3-oxobutanamide
CID 18683063

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(ethyl)amino]butan-2-one?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]butan-2-one (CID 43795933) is 3-[butan-2-yl(ethyl)amino]butan-2-one.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]butan-2-one?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]butan-2-one is CCC(C)N(CC)C(C)C(C)=O.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]butan-2-one?
The InChIKey is WCLIXXLYRUTQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-8(3)11(7-2)9(4)10(5)12/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-[butan-2-yl(ethyl)amino]butan-2-one?
3-[butan-2-yl(ethyl)amino]butan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]butan-2-one is sourced from PubChem (CID 43795933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).