1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine

C9H20N4O — CID 104882649

IUPAC1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NC1CCC1
InChIInChI=1S/C9H20N4O/c1-14-7-3-6-11-9(13-10)12-8-4-2-5-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyJNBKOMURUWSRGJ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.02
Rot. Bonds5

About 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine

1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine (PubChem CID 104882649) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine
PubChem CID104882649
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NC1CCC1
InChIInChI=1S/C9H20N4O/c1-14-7-3-6-11-9(13-10)12-8-4-2-5-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyJNBKOMURUWSRGJ-UHFFFAOYSA-N
XLogP-0.02
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.02
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine (CID 104882649) is 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine is COCCC/N=C(\NN)NC1CCC1.
What is the InChIKey of 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine?
The InChIKey is JNBKOMURUWSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-14-7-3-6-11-9(13-10)12-8-4-2-5-8/h8H,2-7,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine?
1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclobutyl-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 104882649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).