N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C10H23ClN2O — CID 63699930

IUPACN'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCOCCCl
InChIInChI=1S/C10H23ClN2O/c1-12(2)6-4-7-13(3)8-10-14-9-5-11/h4-10H2,1-3H3
InChIKeyHJQZFRLISCJADC-UHFFFAOYSA-N
MW222.76 g/mol
LogP1.13
Rot. Bonds9

About N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63699930) has the molecular formula C10H23ClN2O and a molecular weight of 222.76 g/mol. Its IUPAC name is N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63699930
Molecular FormulaC10H23ClN2O
Molecular Weight222.76 g/mol
Exact Mass222.15
IUPAC NameN'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCOCCCl
InChIInChI=1S/C10H23ClN2O/c1-12(2)6-4-7-13(3)8-10-14-9-5-11/h4-10H2,1-3H3
InChIKeyHJQZFRLISCJADC-UHFFFAOYSA-N
XLogP1.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63699930) is N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CCOCCCl.
What is the InChIKey of N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is HJQZFRLISCJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2O/c1-12(2)6-4-7-13(3)8-10-14-9-5-11/h4-10H2,1-3H3.
What are the key properties of N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 222.76 g/mol, XLogP of 1.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63699930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).