N,N-dipentylcarbamoyl chloride

C11H22ClNO — CID 22106956

IUPACN,N-dipentylcarbamoyl chloride
SMILESCCCCCN(CCCCC)C(=O)Cl
InChIInChI=1S/C11H22ClNO/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyOYZTUIIWSUUXBE-UHFFFAOYSA-N
MW219.76 g/mol
LogP4.03
Rot. Bonds8

About N,N-dipentylcarbamoyl chloride

N,N-dipentylcarbamoyl chloride (PubChem CID 22106956) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N,N-dipentylcarbamoyl chloride.

Molecular Properties

Compound NameN,N-dipentylcarbamoyl chloride
PubChem CID22106956
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN,N-dipentylcarbamoyl chloride
SMILESCCCCCN(CCCCC)C(=O)Cl
InChIInChI=1S/C11H22ClNO/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyOYZTUIIWSUUXBE-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dipentylcarbamoyl chloride?
The IUPAC name of N,N-dipentylcarbamoyl chloride (CID 22106956) is N,N-dipentylcarbamoyl chloride.
What is the SMILES notation for N,N-dipentylcarbamoyl chloride?
The canonical SMILES for N,N-dipentylcarbamoyl chloride is CCCCCN(CCCCC)C(=O)Cl.
What is the InChIKey of N,N-dipentylcarbamoyl chloride?
The InChIKey is OYZTUIIWSUUXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of N,N-dipentylcarbamoyl chloride?
N,N-dipentylcarbamoyl chloride has a molecular weight of 219.76 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentylcarbamoyl chloride is sourced from PubChem (CID 22106956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).