N,N-diethylformamide;hydrochloride

C5H12ClNO — CID 22363255

IUPACN,N-diethylformamide;hydrochloride
SMILESCCN(C=O)CC.Cl
InChIInChI=1S/C5H11NO.ClH/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;1H
InChIKeyXINMZCJRKFUBRX-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.91
Rot. Bonds3

About N,N-diethylformamide;hydrochloride

N,N-diethylformamide;hydrochloride (PubChem CID 22363255) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is N,N-diethylformamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethylformamide;hydrochloride
PubChem CID22363255
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC NameN,N-diethylformamide;hydrochloride
SMILESCCN(C=O)CC.Cl
InChIInChI=1S/C5H11NO.ClH/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;1H
InChIKeyXINMZCJRKFUBRX-UHFFFAOYSA-N
XLogP0.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylformamide;hydrochloride?
The IUPAC name of N,N-diethylformamide;hydrochloride (CID 22363255) is N,N-diethylformamide;hydrochloride.
What is the SMILES notation for N,N-diethylformamide;hydrochloride?
The canonical SMILES for N,N-diethylformamide;hydrochloride is CCN(C=O)CC.Cl.
What is the InChIKey of N,N-diethylformamide;hydrochloride?
The InChIKey is XINMZCJRKFUBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;1H.
What are the key properties of N,N-diethylformamide;hydrochloride?
N,N-diethylformamide;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylformamide;hydrochloride is sourced from PubChem (CID 22363255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).