3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine

C9H22N4O — CID 104883506

IUPAC3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine
SMILESCCOCCC/N=C(/NN)N(C)CC
InChIInChI=1S/C9H22N4O/c1-4-13(3)9(12-10)11-7-6-8-14-5-2/h4-8,10H2,1-3H3,(H,11,12)
InChIKeyXGCCVNAMRSWUFP-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.18
Rot. Bonds6

About 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine

3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine (PubChem CID 104883506) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine
PubChem CID104883506
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine
SMILESCCOCCC/N=C(/NN)N(C)CC
InChIInChI=1S/C9H22N4O/c1-4-13(3)9(12-10)11-7-6-8-14-5-2/h4-8,10H2,1-3H3,(H,11,12)
InChIKeyXGCCVNAMRSWUFP-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.18
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-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine?
The IUPAC name of 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine (CID 104883506) is 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine.
What is the SMILES notation for 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine?
The canonical SMILES for 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine is CCOCCC/N=C(/NN)N(C)CC.
What is the InChIKey of 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine?
The InChIKey is XGCCVNAMRSWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-4-13(3)9(12-10)11-7-6-8-14-5-2/h4-8,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine?
3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine has a molecular weight of 202.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethoxypropyl)-1-ethyl-1-methylguanidine is sourced from PubChem (CID 104883506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).