1-amino-2-butyl-3-cyclobutylguanidine

C9H20N4 — CID 104882644

IUPAC1-amino-2-butyl-3-cyclobutylguanidine
SMILESCCCC/N=C(\NN)NC1CCC1
InChIInChI=1S/C9H20N4/c1-2-3-7-11-9(13-10)12-8-5-4-6-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeySFCCKDVQDGZOHJ-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.75
Rot. Bonds4

About 1-amino-2-butyl-3-cyclobutylguanidine

1-amino-2-butyl-3-cyclobutylguanidine (PubChem CID 104882644) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-amino-2-butyl-3-cyclobutylguanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-cyclobutylguanidine
PubChem CID104882644
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-amino-2-butyl-3-cyclobutylguanidine
SMILESCCCC/N=C(\NN)NC1CCC1
InChIInChI=1S/C9H20N4/c1-2-3-7-11-9(13-10)12-8-5-4-6-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeySFCCKDVQDGZOHJ-UHFFFAOYSA-N
XLogP0.75
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-2-butyl-3-cyclobutylguanidine?
The IUPAC name of 1-amino-2-butyl-3-cyclobutylguanidine (CID 104882644) is 1-amino-2-butyl-3-cyclobutylguanidine.
What is the SMILES notation for 1-amino-2-butyl-3-cyclobutylguanidine?
The canonical SMILES for 1-amino-2-butyl-3-cyclobutylguanidine is CCCC/N=C(\NN)NC1CCC1.
What is the InChIKey of 1-amino-2-butyl-3-cyclobutylguanidine?
The InChIKey is SFCCKDVQDGZOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-2-3-7-11-9(13-10)12-8-5-4-6-8/h8H,2-7,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-2-butyl-3-cyclobutylguanidine?
1-amino-2-butyl-3-cyclobutylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-cyclobutylguanidine is sourced from PubChem (CID 104882644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).