1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine

C11H24N4 — CID 104882276

IUPAC1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
SMILESC/N=C(\NN)NCCC1CCCC(C)C1
InChIInChI=1S/C11H24N4/c1-9-4-3-5-10(8-9)6-7-14-11(13-2)15-12/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyZYANPCACZKCADM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds3

About 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine

1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine (PubChem CID 104882276) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
PubChem CID104882276
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
SMILESC/N=C(\NN)NCCC1CCCC(C)C1
InChIInChI=1S/C11H24N4/c1-9-4-3-5-10(8-9)6-7-14-11(13-2)15-12/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyZYANPCACZKCADM-UHFFFAOYSA-N
XLogP1.24
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
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-[2-(3-methylcyclohexyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine (CID 104882276) is 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine is C/N=C(\NN)NCCC1CCCC(C)C1.
What is the InChIKey of 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine?
The InChIKey is ZYANPCACZKCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9-4-3-5-10(8-9)6-7-14-11(13-2)15-12/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine?
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 3 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-[2-(3-methylcyclohexyl)ethyl]guanidine is sourced from PubChem (CID 104882276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).