1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine

C7H16N4 — CID 104882481

IUPAC1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine
SMILESC/N=C(\NN)NC1CC(C)C1
InChIInChI=1S/C7H16N4/c1-5-3-6(4-5)10-7(9-2)11-8/h5-6H,3-4,8H2,1-2H3,(H2,9,10,11)
InChIKeyFPWXDOVDQKUWQZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.18
Rot. Bonds1

About 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine

1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine (PubChem CID 104882481) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine
PubChem CID104882481
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine
SMILESC/N=C(\NN)NC1CC(C)C1
InChIInChI=1S/C7H16N4/c1-5-3-6(4-5)10-7(9-2)11-8/h5-6H,3-4,8H2,1-2H3,(H2,9,10,11)
InChIKeyFPWXDOVDQKUWQZ-UHFFFAOYSA-N
XLogP-0.18
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3-(3-methylcyclobutyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine (CID 104882481) is 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine is C/N=C(\NN)NC1CC(C)C1.
What is the InChIKey of 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine?
The InChIKey is FPWXDOVDQKUWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-5-3-6(4-5)10-7(9-2)11-8/h5-6H,3-4,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine?
1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine has a molecular weight of 156.23 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(3-methylcyclobutyl)guanidine is sourced from PubChem (CID 104882481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).