3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine

C9H22N4O — CID 104882066

IUPAC3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine
SMILESC/N=C(\NN)N(CCOC)CC(C)C
InChIInChI=1S/C9H22N4O/c1-8(2)7-13(5-6-14-4)9(11-3)12-10/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyWZJMEHWPZUYBQP-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.04
Rot. Bonds5

About 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine

3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine (PubChem CID 104882066) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine
PubChem CID104882066
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine
SMILESC/N=C(\NN)N(CCOC)CC(C)C
InChIInChI=1S/C9H22N4O/c1-8(2)7-13(5-6-14-4)9(11-3)12-10/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyWZJMEHWPZUYBQP-UHFFFAOYSA-N
XLogP0.04
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine 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 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine (CID 104882066) is 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine is C/N=C(\NN)N(CCOC)CC(C)C.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine?
The InChIKey is WZJMEHWPZUYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-8(2)7-13(5-6-14-4)9(11-3)12-10/h8H,5-7,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine?
3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine has a molecular weight of 202.30 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 104882066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).