N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine

C12H31N5O2 — CID 176987325

IUPACN'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(CCOCCN)CCOCCN
InChIInChI=1S/C12H31N5O2/c13-1-4-16-5-6-17(7-11-18-9-2-14)8-12-19-10-3-15/h16H,1-15H2
InChIKeyXJIPLIIXCANRSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP-2.21
Rot. Bonds15

About N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine

N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 176987325) has the molecular formula C12H31N5O2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
PubChem CID176987325
Molecular FormulaC12H31N5O2
Molecular Weight277.41 g/mol
Exact Mass277.25
IUPAC NameN'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(CCOCCN)CCOCCN
InChIInChI=1S/C12H31N5O2/c13-1-4-16-5-6-17(7-11-18-9-2-14)8-12-19-10-3-15/h16H,1-15H2
InChIKeyXJIPLIIXCANRSX-UHFFFAOYSA-N
XLogP-2.21
TPSA111.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide
CID 176987350
[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium
CID 176987349
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
CID 20686698
2-[bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]amino]ethanol
CID 59518679
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine (CID 176987325) is N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine is NCCNCCN(CCOCCN)CCOCCN.
What is the InChIKey of N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is XJIPLIIXCANRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N5O2/c13-1-4-16-5-6-17(7-11-18-9-2-14)8-12-19-10-3-15/h16H,1-15H2.
What are the key properties of N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine?
N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 277.41 g/mol, XLogP of -2.21, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 176987325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).