7-(diethylamino)heptanoyl chloride

C11H22ClNO — CID 58258251

IUPAC7-(diethylamino)heptanoyl chloride
SMILESCCN(CC)CCCCCCC(=O)Cl
InChIInChI=1S/C11H22ClNO/c1-3-13(4-2)10-8-6-5-7-9-11(12)14/h3-10H2,1-2H3
InChIKeyUWKFDJXROOCION-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.04
Rot. Bonds9

About 7-(diethylamino)heptanoyl chloride

7-(diethylamino)heptanoyl chloride (PubChem CID 58258251) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 7-(diethylamino)heptanoyl chloride.

Molecular Properties

Compound Name7-(diethylamino)heptanoyl chloride
PubChem CID58258251
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name7-(diethylamino)heptanoyl chloride
SMILESCCN(CC)CCCCCCC(=O)Cl
InChIInChI=1S/C11H22ClNO/c1-3-13(4-2)10-8-6-5-7-9-11(12)14/h3-10H2,1-2H3
InChIKeyUWKFDJXROOCION-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(propyl)amino]butanoyl chloride
CID 143367030
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
14-(diethylamino)-2-methylidenetetradecanoic acid
CID 54053311
nonadecanoyl chloride
CID 4250939
3-(dibutylamino)propanoyl chloride
CID 39258356
(Z)-18-(diethylamino)octadec-9-enoic acid
CID 87447290
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
cyclohexane;octanoyl chloride
CID 175478267
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)heptanoyl chloride?
The IUPAC name of 7-(diethylamino)heptanoyl chloride (CID 58258251) is 7-(diethylamino)heptanoyl chloride.
What is the SMILES notation for 7-(diethylamino)heptanoyl chloride?
The canonical SMILES for 7-(diethylamino)heptanoyl chloride is CCN(CC)CCCCCCC(=O)Cl.
What is the InChIKey of 7-(diethylamino)heptanoyl chloride?
The InChIKey is UWKFDJXROOCION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-13(4-2)10-8-6-5-7-9-11(12)14/h3-10H2,1-2H3.
What are the key properties of 7-(diethylamino)heptanoyl chloride?
7-(diethylamino)heptanoyl 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 7-(diethylamino)heptanoyl chloride is sourced from PubChem (CID 58258251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).