1-(methylamino)butan-2-yl acetate

C7H15NO2 — CID 88590803

IUPAC1-(methylamino)butan-2-yl acetate
SMILESCCC(CNC)OC(C)=O
InChIInChI=1S/C7H15NO2/c1-4-7(5-8-3)10-6(2)9/h7-8H,4-5H2,1-3H3
InChIKeyJEPIFIBUGAEXEP-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds4

About 1-(methylamino)butan-2-yl acetate

1-(methylamino)butan-2-yl acetate (PubChem CID 88590803) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(methylamino)butan-2-yl acetate.

Molecular Properties

Compound Name1-(methylamino)butan-2-yl acetate
PubChem CID88590803
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(methylamino)butan-2-yl acetate
SMILESCCC(CNC)OC(C)=O
InChIInChI=1S/C7H15NO2/c1-4-7(5-8-3)10-6(2)9/h7-8H,4-5H2,1-3H3
InChIKeyJEPIFIBUGAEXEP-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chlorobutan-2-yl acetate
CID 12575174
3-acetyloxypentanoic acid
CID 22152680
1-trimethylsilylbutan-2-yl acetate
CID 20661380
(313C)heptan-4-yl acetate
CID 117065532
O-[1-(methylamino)butan-2-yl]hydroxylamine
CID 118650526
[(3S)-nonan-3-yl] acetate
CID 76967958
[(E,3S)-6-methyloct-5-en-3-yl] acetate
CID 102063309
8-hydroxyoctan-3-yl acetate
CID 101015615
1-acetamidobutan-2-yl propanoate
CID 143006840
methyl 14-acetyloxyhexadecanoate
CID 71410392
2-acetyloxybutyl 2-(chloroamino)-2-oxoacetate
CID 20514553
(1-ethylsulfanyl-1-hydroxypentan-3-yl) acetate
CID 162222814

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)butan-2-yl acetate?
The IUPAC name of 1-(methylamino)butan-2-yl acetate (CID 88590803) is 1-(methylamino)butan-2-yl acetate.
What is the SMILES notation for 1-(methylamino)butan-2-yl acetate?
The canonical SMILES for 1-(methylamino)butan-2-yl acetate is CCC(CNC)OC(C)=O.
What is the InChIKey of 1-(methylamino)butan-2-yl acetate?
The InChIKey is JEPIFIBUGAEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-7(5-8-3)10-6(2)9/h7-8H,4-5H2,1-3H3.
What are the key properties of 1-(methylamino)butan-2-yl acetate?
1-(methylamino)butan-2-yl acetate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)butan-2-yl acetate is sourced from PubChem (CID 88590803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).