4-[ethyl(propyl)amino]butanoyl chloride

C9H18ClNO — CID 143367030

IUPAC4-[ethyl(propyl)amino]butanoyl chloride
SMILESCCCN(CC)CCCC(=O)Cl
InChIInChI=1S/C9H18ClNO/c1-3-7-11(4-2)8-5-6-9(10)12/h3-8H2,1-2H3
InChIKeyXWQZDSDUJJRGKW-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.26
Rot. Bonds7

About 4-[ethyl(propyl)amino]butanoyl chloride

4-[ethyl(propyl)amino]butanoyl chloride (PubChem CID 143367030) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]butanoyl chloride.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]butanoyl chloride
PubChem CID143367030
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-[ethyl(propyl)amino]butanoyl chloride
SMILESCCCN(CC)CCCC(=O)Cl
InChIInChI=1S/C9H18ClNO/c1-3-7-11(4-2)8-5-6-9(10)12/h3-8H2,1-2H3
InChIKeyXWQZDSDUJJRGKW-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.26
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

7-(diethylamino)heptanoyl chloride
CID 58258251
5-[ethyl(propyl)amino]pentan-2-one
CID 43792941
6-[ethyl(propyl)amino]hexan-2-one
CID 43792940
3-(dibutylamino)propanoyl chloride
CID 39258356
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
4-[ethyl(pentyl)amino]butanamide
CID 57048694
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]butanoyl chloride?
The IUPAC name of 4-[ethyl(propyl)amino]butanoyl chloride (CID 143367030) is 4-[ethyl(propyl)amino]butanoyl chloride.
What is the SMILES notation for 4-[ethyl(propyl)amino]butanoyl chloride?
The canonical SMILES for 4-[ethyl(propyl)amino]butanoyl chloride is CCCN(CC)CCCC(=O)Cl.
What is the InChIKey of 4-[ethyl(propyl)amino]butanoyl chloride?
The InChIKey is XWQZDSDUJJRGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-3-7-11(4-2)8-5-6-9(10)12/h3-8H2,1-2H3.
What are the key properties of 4-[ethyl(propyl)amino]butanoyl chloride?
4-[ethyl(propyl)amino]butanoyl chloride has a molecular weight of 191.70 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]butanoyl chloride is sourced from PubChem (CID 143367030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).