1-(dimethylamino)pentan-3-yl butanoate

C11H23NO2 — CID 177025581

IUPAC1-(dimethylamino)pentan-3-yl butanoate
SMILESCCCC(=O)OC(CC)CCN(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-11(13)14-10(6-2)8-9-12(3)4/h10H,5-9H2,1-4H3
InChIKeyIVSFUJWJKGNVQK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds7

About 1-(dimethylamino)pentan-3-yl butanoate

1-(dimethylamino)pentan-3-yl butanoate (PubChem CID 177025581) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(dimethylamino)pentan-3-yl butanoate.

Molecular Properties

Compound Name1-(dimethylamino)pentan-3-yl butanoate
PubChem CID177025581
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(dimethylamino)pentan-3-yl butanoate
SMILESCCCC(=O)OC(CC)CCN(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-11(13)14-10(6-2)8-9-12(3)4/h10H,5-9H2,1-4H3
InChIKeyIVSFUJWJKGNVQK-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylamino)pentan-3-yl butanoate 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

tetradecan-3-yl butanoate
CID 551228
6-hydroxyhexan-3-yl butanoate
CID 118892653
hexan-3-yl 3-iodopropanoate
CID 121429212
dioctan-3-yl butanedioate
CID 22101652
[(2S)-2-butanoyloxybutyl] butanoate
CID 129404084
heptadecan-9-yl 9-[3-(dimethylamino)propanoyloxy]hexadecanoate
CID 176786483
heptatriacontan-19-yl 4-(dimethylamino)butanoate
CID 56652029
hentriacontan-16-yl 4-(dimethylamino)butanoate
CID 144641377
hexan-3-yl 4-oxopentanoate
CID 175450445
diheptan-3-yl nonanedioate
CID 91752130
4-hexan-3-yloxy-4-oxobutanoic acid
CID 87375600
hexan-3-yl 2-[3-(dimethylamino)propylamino]acetate
CID 176847486

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)pentan-3-yl butanoate?
The IUPAC name of 1-(dimethylamino)pentan-3-yl butanoate (CID 177025581) is 1-(dimethylamino)pentan-3-yl butanoate.
What is the SMILES notation for 1-(dimethylamino)pentan-3-yl butanoate?
The canonical SMILES for 1-(dimethylamino)pentan-3-yl butanoate is CCCC(=O)OC(CC)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)pentan-3-yl butanoate?
The InChIKey is IVSFUJWJKGNVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-11(13)14-10(6-2)8-9-12(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)pentan-3-yl butanoate?
1-(dimethylamino)pentan-3-yl butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)pentan-3-yl butanoate is sourced from PubChem (CID 177025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).