1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine

C7H16N4O — CID 104929458

IUPAC1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine
SMILESC=C(C)COCC/N=C(\N)NN
InChIInChI=1S/C7H16N4O/c1-6(2)5-12-4-3-10-7(8)11-9/h1,3-5,9H2,2H3,(H3,8,10,11)
InChIKeyLROJPVNZJGFSJC-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.64
Rot. Bonds5

About 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine

1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine (PubChem CID 104929458) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine
PubChem CID104929458
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine
SMILESC=C(C)COCC/N=C(\N)NN
InChIInChI=1S/C7H16N4O/c1-6(2)5-12-4-3-10-7(8)11-9/h1,3-5,9H2,2H3,(H3,8,10,11)
InChIKeyLROJPVNZJGFSJC-UHFFFAOYSA-N
XLogP-0.64
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]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 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine?
The IUPAC name of 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine (CID 104929458) is 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine is C=C(C)COCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine?
The InChIKey is LROJPVNZJGFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-6(2)5-12-4-3-10-7(8)11-9/h1,3-5,9H2,2H3,(H3,8,10,11).
What are the key properties of 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine?
1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine has a molecular weight of 172.23 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine is sourced from PubChem (CID 104929458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).