N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C12H27ClN2O — CID 63665238

IUPACN'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCOCCCl)CCN(C)C
InChIInChI=1S/C12H27ClN2O/c1-12(2)11-15(7-6-14(3)4)8-10-16-9-5-13/h12H,5-11H2,1-4H3
InChIKeyJRJMGIDYDJACOB-UHFFFAOYSA-N
MW250.81 g/mol
LogP1.76
Rot. Bonds10

About N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63665238) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID63665238
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCOCCCl)CCN(C)C
InChIInChI=1S/C12H27ClN2O/c1-12(2)11-15(7-6-14(3)4)8-10-16-9-5-13/h12H,5-11H2,1-4H3
InChIKeyJRJMGIDYDJACOB-UHFFFAOYSA-N
XLogP1.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 51.76
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-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 63665238) is N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCOCCCl)CCN(C)C.
What is the InChIKey of N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JRJMGIDYDJACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClN2O/c1-12(2)11-15(7-6-14(3)4)8-10-16-9-5-13/h12H,5-11H2,1-4H3.
What are the key properties of N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-(2-chloroethoxy)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 250.81 g/mol, XLogP of 1.76, 10 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-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63665238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).