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

C17H37N3O6 — CID 87621187

IUPAC1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCCOCC)CCOCCOCCOCC
InChIInChI=1S/C17H37N3O6/c1-3-21-9-11-25-15-13-23-7-5-20(17(18)19)6-8-24-14-16-26-12-10-22-4-2/h3-16H2,1-2H3,(H3,18,19)
InChIKeyMUGQUTPZXZBFGX-UHFFFAOYSA-N
MW379.50 g/mol
LogP0.32
Rot. Bonds20

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

1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine (PubChem CID 87621187) has the molecular formula C17H37N3O6 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
PubChem CID87621187
Molecular FormulaC17H37N3O6
Molecular Weight379.50 g/mol
Exact Mass379.27
IUPAC Name1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCCOCC)CCOCCOCCOCC
InChIInChI=1S/C17H37N3O6/c1-3-21-9-11-25-15-13-23-7-5-20(17(18)19)6-8-24-14-16-26-12-10-22-4-2/h3-16H2,1-2H3,(H3,18,19)
InChIKeyMUGQUTPZXZBFGX-UHFFFAOYSA-N
XLogP0.32
TPSA108.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 87620124
N,N-bis(2-ethoxyethyl)butanimidamide
CID 82959932
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
CID 63697565
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981
4-[bis(2-ethoxyethyl)amino]butanimidamide
CID 82951501
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
3-(2-ethoxyethoxy)pentanimidamide
CID 43368509
1,1-bis(methoxymethyl)guanidine
CID 59912827

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine?
The IUPAC name of 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine (CID 87621187) is 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine.
What is the SMILES notation for 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine?
The canonical SMILES for 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine is [H]/N=C(\N)N(CCOCCOCCOCC)CCOCCOCCOCC.
What is the InChIKey of 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine?
The InChIKey is MUGQUTPZXZBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O6/c1-3-21-9-11-25-15-13-23-7-5-20(17(18)19)6-8-24-14-16-26-12-10-22-4-2/h3-16H2,1-2H3,(H3,18,19).
What are the key properties of 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine?
1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine has a molecular weight of 379.50 g/mol, XLogP of 0.32, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine is sourced from PubChem (CID 87621187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).