2-chloroethyl(diethyl)azanium

C6H15ClN+ — CID 6992605

IUPAC2-chloroethyl(diethyl)azanium
SMILESCC[NH+](CC)CCCl
InChIInChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3/p+1
InChIKeyYMDNODNLFSHHCV-UHFFFAOYSA-O
MW136.65 g/mol
LogP0.15
Rot. Bonds4

About 2-chloroethyl(diethyl)azanium

2-chloroethyl(diethyl)azanium (PubChem CID 6992605) has the molecular formula C6H15ClN+ and a molecular weight of 136.65 g/mol. Its IUPAC name is 2-chloroethyl(diethyl)azanium.

Molecular Properties

Compound Name2-chloroethyl(diethyl)azanium
PubChem CID6992605
Molecular FormulaC6H15ClN+
Molecular Weight136.65 g/mol
Exact Mass136.09
IUPAC Name2-chloroethyl(diethyl)azanium
SMILESCC[NH+](CC)CCCl
InChIInChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3/p+1
InChIKeyYMDNODNLFSHHCV-UHFFFAOYSA-O
XLogP0.15
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.65
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl(diethyl)azanium?
The IUPAC name of 2-chloroethyl(diethyl)azanium (CID 6992605) is 2-chloroethyl(diethyl)azanium.
What is the SMILES notation for 2-chloroethyl(diethyl)azanium?
The canonical SMILES for 2-chloroethyl(diethyl)azanium is CC[NH+](CC)CCCl.
What is the InChIKey of 2-chloroethyl(diethyl)azanium?
The InChIKey is YMDNODNLFSHHCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3/p+1.
What are the key properties of 2-chloroethyl(diethyl)azanium?
2-chloroethyl(diethyl)azanium has a molecular weight of 136.65 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(diethyl)azanium is sourced from PubChem (CID 6992605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).