3-(diethylamino)propanoyl chloride;hydrochloride

C7H15Cl2NO — CID 18975499

IUPAC3-(diethylamino)propanoyl chloride;hydrochloride
SMILESCCN(CC)CCC(=O)Cl.Cl
InChIInChI=1S/C7H14ClNO.ClH/c1-3-9(4-2)6-5-7(8)10;/h3-6H2,1-2H3;1H
InChIKeyNWSJJNCNEBVNRP-UHFFFAOYSA-N
MW200.11 g/mol
LogP1.91
Rot. Bonds5

About 3-(diethylamino)propanoyl chloride;hydrochloride

3-(diethylamino)propanoyl chloride;hydrochloride (PubChem CID 18975499) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is 3-(diethylamino)propanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propanoyl chloride;hydrochloride
PubChem CID18975499
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Name3-(diethylamino)propanoyl chloride;hydrochloride
SMILESCCN(CC)CCC(=O)Cl.Cl
InChIInChI=1S/C7H14ClNO.ClH/c1-3-9(4-2)6-5-7(8)10;/h3-6H2,1-2H3;1H
InChIKeyNWSJJNCNEBVNRP-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.91
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
3-(dibutylamino)propanoyl chloride
CID 39258356
4-[ethyl(propyl)amino]butanoyl chloride
CID 143367030
3-(diethylamino)propanoyl fluoride
CID 139607789
N,N-diethylethanamine;hypochlorous acid
CID 87187871
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
1-(diethylamino)heptan-3-one
CID 21485652
4-(diethylamino)butanoate;dihydrochloride
CID 21450375
1-(diethylamino)-4-methylhexan-3-one
CID 79446320
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propanoyl chloride;hydrochloride?
The IUPAC name of 3-(diethylamino)propanoyl chloride;hydrochloride (CID 18975499) is 3-(diethylamino)propanoyl chloride;hydrochloride.
What is the SMILES notation for 3-(diethylamino)propanoyl chloride;hydrochloride?
The canonical SMILES for 3-(diethylamino)propanoyl chloride;hydrochloride is CCN(CC)CCC(=O)Cl.Cl.
What is the InChIKey of 3-(diethylamino)propanoyl chloride;hydrochloride?
The InChIKey is NWSJJNCNEBVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO.ClH/c1-3-9(4-2)6-5-7(8)10;/h3-6H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)propanoyl chloride;hydrochloride?
3-(diethylamino)propanoyl chloride;hydrochloride has a molecular weight of 200.11 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propanoyl chloride;hydrochloride is sourced from PubChem (CID 18975499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).