3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine

C7H18N4O — CID 104882200

IUPAC3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)CCCOC
InChIInChI=1S/C7H18N4O/c1-9-7(10-8)11(2)5-4-6-12-3/h4-6,8H2,1-3H3,(H,9,10)
InChIKeyWAOFHGNXEHCCPU-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.60
Rot. Bonds4

About 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine

3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine (PubChem CID 104882200) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine
PubChem CID104882200
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)CCCOC
InChIInChI=1S/C7H18N4O/c1-9-7(10-8)11(2)5-4-6-12-3/h4-6,8H2,1-3H3,(H,9,10)
InChIKeyWAOFHGNXEHCCPU-UHFFFAOYSA-N
XLogP-0.60
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine (CID 104882200) is 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine is C/N=C(\NN)N(C)CCCOC.
What is the InChIKey of 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine?
The InChIKey is WAOFHGNXEHCCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-9-7(10-8)11(2)5-4-6-12-3/h4-6,8H2,1-3H3,(H,9,10).
What are the key properties of 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine?
3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine has a molecular weight of 174.25 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxypropyl)-1,2-dimethylguanidine is sourced from PubChem (CID 104882200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).