3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine

C11H24N4 — CID 104882562

IUPAC3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine
SMILESCCCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4/c1-3-4-8-13-11(14-12)15(2)9-10-6-5-7-10/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyWZDXBYNUKDDFCA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine

3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine (PubChem CID 104882562) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine
PubChem CID104882562
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine
SMILESCCCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4/c1-3-4-8-13-11(14-12)15(2)9-10-6-5-7-10/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyWZDXBYNUKDDFCA-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
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 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine (CID 104882562) is 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine is CCCC/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine?
The InChIKey is WZDXBYNUKDDFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-4-8-13-11(14-12)15(2)9-10-6-5-7-10/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine?
3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine has a molecular weight of 212.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine is sourced from PubChem (CID 104882562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).