3-(dibutylamino)propanoyl chloride

C11H22ClNO — CID 39258356

IUPAC3-(dibutylamino)propanoyl chloride
SMILESCCCCN(CCCC)CCC(=O)Cl
InChIInChI=1S/C11H22ClNO/c1-3-5-8-13(9-6-4-2)10-7-11(12)14/h3-10H2,1-2H3
InChIKeyLNUGRXAGZSQVNR-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.04
Rot. Bonds9

About 3-(dibutylamino)propanoyl chloride

3-(dibutylamino)propanoyl chloride (PubChem CID 39258356) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-(dibutylamino)propanoyl chloride.

Molecular Properties

Compound Name3-(dibutylamino)propanoyl chloride
PubChem CID39258356
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-(dibutylamino)propanoyl chloride
SMILESCCCCN(CCCC)CCC(=O)Cl
InChIInChI=1S/C11H22ClNO/c1-3-5-8-13(9-6-4-2)10-7-11(12)14/h3-10H2,1-2H3
InChIKeyLNUGRXAGZSQVNR-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
4-(dibutylamino)butanamide
CID 57071614
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
4-[ethyl(propyl)amino]butanoyl chloride
CID 143367030
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
pentanoyl chloride;hydrofluoride
CID 174423538
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
7-(diethylamino)heptanoyl chloride
CID 58258251
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)propanoyl chloride?
The IUPAC name of 3-(dibutylamino)propanoyl chloride (CID 39258356) is 3-(dibutylamino)propanoyl chloride.
What is the SMILES notation for 3-(dibutylamino)propanoyl chloride?
The canonical SMILES for 3-(dibutylamino)propanoyl chloride is CCCCN(CCCC)CCC(=O)Cl.
What is the InChIKey of 3-(dibutylamino)propanoyl chloride?
The InChIKey is LNUGRXAGZSQVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-5-8-13(9-6-4-2)10-7-11(12)14/h3-10H2,1-2H3.
What are the key properties of 3-(dibutylamino)propanoyl chloride?
3-(dibutylamino)propanoyl chloride has a molecular weight of 219.76 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propanoyl chloride is sourced from PubChem (CID 39258356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).