3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine

C11H24N4 — CID 104882570

IUPAC3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4/c1-9(2)7-13-11(14-12)15(3)8-10-5-4-6-10/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyIHGAKDFZRPTUSU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine

3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine (PubChem CID 104882570) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
PubChem CID104882570
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4/c1-9(2)7-13-11(14-12)15(3)8-10-5-4-6-10/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyIHGAKDFZRPTUSU-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
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 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine (CID 104882570) is 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The InChIKey is IHGAKDFZRPTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9(2)7-13-11(14-12)15(3)8-10-5-4-6-10/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104882570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).