1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine

C13H31N5O4 — CID 126755953

IUPAC1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine
SMILESNCCOCCOCC/N=C(\N)NCCOCCOCCN
InChIInChI=1S/C13H31N5O4/c14-1-5-19-9-11-21-7-3-17-13(16)18-4-8-22-12-10-20-6-2-15/h1-12,14-15H2,(H3,16,17,18)
InChIKeyLCCVINYUOKWADU-UHFFFAOYSA-N
MW321.42 g/mol
LogP-2.13
Rot. Bonds16

About 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine

1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine (PubChem CID 126755953) has the molecular formula C13H31N5O4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine
PubChem CID126755953
Molecular FormulaC13H31N5O4
Molecular Weight321.42 g/mol
Exact Mass321.24
IUPAC Name1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine
SMILESNCCOCCOCC/N=C(\N)NCCOCCOCCN
InChIInChI=1S/C13H31N5O4/c14-1-5-19-9-11-21-7-3-17-13(16)18-4-8-22-12-10-20-6-2-15/h1-12,14-15H2,(H3,16,17,18)
InChIKeyLCCVINYUOKWADU-UHFFFAOYSA-N
XLogP-2.13
TPSA139.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide
CID 144951076
1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
CID 111045515
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111821808
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
1-[3-[2-[2-[3-[[amino-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]methylidene]amino]propoxy]ethoxy]ethoxy]propyl]-2-[4-oxo-4-[4,7,10,13-tetrakis[4-[[amino-[3-[2-[2-[3-[[amino-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]methylidene]amino]propoxy]ethoxy]ethoxy]propylamino]methylidene]amino]butanoyl]-1,4,7,10,13-pentazacyclopentadec-1-yl]butyl]guanidine
CID 101237133
N-[2-(2-aminoethoxy)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003381

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine?
The IUPAC name of 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine (CID 126755953) is 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine.
What is the SMILES notation for 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine?
The canonical SMILES for 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine is NCCOCCOCC/N=C(\N)NCCOCCOCCN.
What is the InChIKey of 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine?
The InChIKey is LCCVINYUOKWADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5O4/c14-1-5-19-9-11-21-7-3-17-13(16)18-4-8-22-12-10-20-6-2-15/h1-12,14-15H2,(H3,16,17,18).
What are the key properties of 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine?
1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine has a molecular weight of 321.42 g/mol, XLogP of -2.13, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine is sourced from PubChem (CID 126755953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).