1,1-bis(2-methoxyethyl)guanidine

C7H17N3O2 — CID 18681337

IUPAC1,1-bis(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N)N(CCOC)CCOC
InChIInChI=1S/C7H17N3O2/c1-11-5-3-10(7(8)9)4-6-12-2/h3-6H2,1-2H3,(H3,8,9)
InChIKeyIGXYYVMBMDXQBZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.53
Rot. Bonds6

About 1,1-bis(2-methoxyethyl)guanidine

1,1-bis(2-methoxyethyl)guanidine (PubChem CID 18681337) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)guanidine
PubChem CID18681337
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1,1-bis(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N)N(CCOC)CCOC
InChIInChI=1S/C7H17N3O2/c1-11-5-3-10(7(8)9)4-6-12-2/h3-6H2,1-2H3,(H3,8,9)
InChIKeyIGXYYVMBMDXQBZ-UHFFFAOYSA-N
XLogP-0.53
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)guanidine?
The IUPAC name of 1,1-bis(2-methoxyethyl)guanidine (CID 18681337) is 1,1-bis(2-methoxyethyl)guanidine.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)guanidine?
The canonical SMILES for 1,1-bis(2-methoxyethyl)guanidine is [H]/N=C(\N)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)guanidine?
The InChIKey is IGXYYVMBMDXQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-11-5-3-10(7(8)9)4-6-12-2/h3-6H2,1-2H3,(H3,8,9).
What are the key properties of 1,1-bis(2-methoxyethyl)guanidine?
1,1-bis(2-methoxyethyl)guanidine has a molecular weight of 175.23 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)guanidine is sourced from PubChem (CID 18681337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).