N',N'-bis(2-propoxyethyl)ethane-1,2-diamine

C12H28N2O2 — CID 160827166

IUPACN',N'-bis(2-propoxyethyl)ethane-1,2-diamine
SMILESCCCOCCN(CCN)CCOCCC
InChIInChI=1S/C12H28N2O2/c1-3-9-15-11-7-14(6-5-13)8-12-16-10-4-2/h3-13H2,1-2H3
InChIKeySGIFVBYSPHUFFA-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.10
Rot. Bonds12

About N',N'-bis(2-propoxyethyl)ethane-1,2-diamine

N',N'-bis(2-propoxyethyl)ethane-1,2-diamine (PubChem CID 160827166) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N',N'-bis(2-propoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-propoxyethyl)ethane-1,2-diamine
PubChem CID160827166
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN',N'-bis(2-propoxyethyl)ethane-1,2-diamine
SMILESCCCOCCN(CCN)CCOCCC
InChIInChI=1S/C12H28N2O2/c1-3-9-15-11-7-14(6-5-13)8-12-16-10-4-2/h3-13H2,1-2H3
InChIKeySGIFVBYSPHUFFA-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Oxa-4,7,10-triazacyclododecane
CID 771596
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-1,3 propanediamine
CID 18945537
1-(2-Ethoxyethyl)piperazine
CID 2734643
1-(2-Propoxyethyl)piperazine
CID 2760475
1,2-Ethanediamine, N,N-bis(2-methoxyethyl)-
CID 7138275
N-Ethyl-2-(morpholin-4-yl)ethan-1-amine
CID 14518967
[2-(2-Aminoethoxy)ethyl]diethylamine
CID 15105206
Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine
CID 23116495
(2-Aminoethyl)(2-methoxyethyl)methylamine
CID 23144321
N2-(2-Methoxyethyl)-N1,N1-dimethyl-1,2-ethanediamine
CID 23313977
Ethanamine, 2-(2-(dimethylamino)ethoxy)-N-(2-(2-(dimethylamino)ethoxy)ethyl)-
CID 87914104
1,4-Dioxa-7,10,13-triazacyclopentadecane
CID 5155370

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-propoxyethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-propoxyethyl)ethane-1,2-diamine (CID 160827166) is N',N'-bis(2-propoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-propoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-propoxyethyl)ethane-1,2-diamine is CCCOCCN(CCN)CCOCCC.
What is the InChIKey of N',N'-bis(2-propoxyethyl)ethane-1,2-diamine?
The InChIKey is SGIFVBYSPHUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-3-9-15-11-7-14(6-5-13)8-12-16-10-4-2/h3-13H2,1-2H3.
What are the key properties of N',N'-bis(2-propoxyethyl)ethane-1,2-diamine?
N',N'-bis(2-propoxyethyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.10, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-propoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 160827166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).