1,1-bis(2-methoxyethyl)-2-methylguanidine

C8H19N3O2 — CID 62359517

IUPAC1,1-bis(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)CCOC
InChIInChI=1S/C8H19N3O2/c1-10-8(9)11(4-6-12-2)5-7-13-3/h4-7H2,1-3H3,(H2,9,10)
InChIKeyUXFLRIIRDDCTPQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.47
Rot. Bonds6

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

1,1-bis(2-methoxyethyl)-2-methylguanidine (PubChem CID 62359517) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-2-methylguanidine
PubChem CID62359517
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name1,1-bis(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)CCOC
InChIInChI=1S/C8H19N3O2/c1-10-8(9)11(4-6-12-2)5-7-13-3/h4-7H2,1-3H3,(H2,9,10)
InChIKeyUXFLRIIRDDCTPQ-UHFFFAOYSA-N
XLogP-0.47
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-bis(2-methoxyethyl)-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1,1-bis(2-methoxyethyl)-2-methylguanidine (CID 62359517) is 1,1-bis(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-2-methylguanidine is C/N=C(\N)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-2-methylguanidine?
The InChIKey is UXFLRIIRDDCTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-10-8(9)11(4-6-12-2)5-7-13-3/h4-7H2,1-3H3,(H2,9,10).
What are the key properties of 1,1-bis(2-methoxyethyl)-2-methylguanidine?
1,1-bis(2-methoxyethyl)-2-methylguanidine has a molecular weight of 189.26 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 62359517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).