3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine

C9H22N4O — CID 104883253

IUPAC3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine
SMILESCCN(CC)/C(=N\CCCOC)NN
InChIInChI=1S/C9H22N4O/c1-4-13(5-2)9(12-10)11-7-6-8-14-3/h4-8,10H2,1-3H3,(H,11,12)
InChIKeyWAPAPRDGQSWDEG-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.18
Rot. Bonds6

About 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine

3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine (PubChem CID 104883253) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine
PubChem CID104883253
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine
SMILESCCN(CC)/C(=N\CCCOC)NN
InChIInChI=1S/C9H22N4O/c1-4-13(5-2)9(12-10)11-7-6-8-14-3/h4-8,10H2,1-3H3,(H,11,12)
InChIKeyWAPAPRDGQSWDEG-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-1,1-diethyl-2-(3-methoxypropyl)guanidine?
The IUPAC name of 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine (CID 104883253) is 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine is CCN(CC)/C(=N\CCCOC)NN.
What is the InChIKey of 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine?
The InChIKey is WAPAPRDGQSWDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-4-13(5-2)9(12-10)11-7-6-8-14-3/h4-8,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine?
3-amino-1,1-diethyl-2-(3-methoxypropyl)guanidine 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-1,1-diethyl-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 104883253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).