1-(dimethylamino)propan-2-yl butanoate

C9H19NO2 — CID 23423565

IUPAC1-(dimethylamino)propan-2-yl butanoate
SMILESCCCC(=O)OC(C)CN(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-9(11)12-8(2)7-10(3)4/h8H,5-7H2,1-4H3
InChIKeyUKUNIEPAEIRELD-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About 1-(dimethylamino)propan-2-yl butanoate

1-(dimethylamino)propan-2-yl butanoate (PubChem CID 23423565) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl butanoate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl butanoate
PubChem CID23423565
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(dimethylamino)propan-2-yl butanoate
SMILESCCCC(=O)OC(C)CN(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-9(11)12-8(2)7-10(3)4/h8H,5-7H2,1-4H3
InChIKeyUKUNIEPAEIRELD-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)propan-2-yl decanoate
CID 25190133
1-(dimethylamino)propan-2-yl 2-hydroxyacetate
CID 175391300
[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate
CID 155111213
nonan-2-yl butanoate
CID 551252
1-bromoethyl butanoate
CID 21202083
CID 174077427
CID 174077427
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
CID 59202459
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
1-(dimethylamino)pentan-3-yl butanoate
CID 177025581
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
1-(dipropylamino)ethyl butanoate
CID 21484662

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl butanoate?
The IUPAC name of 1-(dimethylamino)propan-2-yl butanoate (CID 23423565) is 1-(dimethylamino)propan-2-yl butanoate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl butanoate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl butanoate is CCCC(=O)OC(C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)propan-2-yl butanoate?
The InChIKey is UKUNIEPAEIRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-9(11)12-8(2)7-10(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 1-(dimethylamino)propan-2-yl butanoate?
1-(dimethylamino)propan-2-yl butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl butanoate is sourced from PubChem (CID 23423565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).