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

C12H28N2O2 — CID 160986013

IUPACN,N'-bis(2-propoxyethyl)ethane-1,2-diamine
SMILESCCCOCCNCCNCCOCCC
InChIInChI=1S/C12H28N2O2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h13-14H,3-12H2,1-2H3
InChIKeyTTZHVUDFWOXPKC-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.02
Rot. Bonds13

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

N,N'-bis(2-propoxyethyl)ethane-1,2-diamine (PubChem CID 160986013) 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 CID160986013
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN,N'-bis(2-propoxyethyl)ethane-1,2-diamine
SMILESCCCOCCNCCNCCOCCC
InChIInChI=1S/C12H28N2O2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h13-14H,3-12H2,1-2H3
InChIKeyTTZHVUDFWOXPKC-UHFFFAOYSA-N
XLogP1.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,10-Trioxa-7,13-diazacyclopentadecane
CID 123435
1,7-Dioxa-4,10-diazacyclododecane
CID 67522
1-Oxa-4,7,10-triazacyclododecane
CID 771596
2-Propanamine, N,N'-(oxydi-2,1-ethanediyl)bis-
CID 469935
Bis(2-ethoxyethyl)amine
CID 547396
Poly(oxy-1,2-ethanediyl), alpha-(2-(methylamino)ethyl)-omega-(2-(methylamino)ethoxy)-
CID 91958
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
Bis(2-isopropoxyethyl)amine
CID 22450263
Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine
CID 23116495

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 160986013) 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 CCCOCCNCCNCCOCCC.
What is the InChIKey of N,N'-bis(2-propoxyethyl)ethane-1,2-diamine?
The InChIKey is TTZHVUDFWOXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h13-14H,3-12H2,1-2H3.
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 1.02, 13 rotatable bonds, 2 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 160986013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).