2-(11-methyldodecyl)guanidine

C14H31N3 — CID 11659147

IUPAC2-(11-methyldodecyl)guanidine
SMILESCC(C)CCCCCCCCCCN=C(N)N
InChIInChI=1S/C14H31N3/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-14(15)16/h13H,3-12H2,1-2H3,(H4,15,16,17)
InChIKeyCXZPGYOABFURFD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.43
Rot. Bonds11

About 2-(11-methyldodecyl)guanidine

2-(11-methyldodecyl)guanidine (PubChem CID 11659147) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(11-methyldodecyl)guanidine.

Molecular Properties

Compound Name2-(11-methyldodecyl)guanidine
PubChem CID11659147
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-(11-methyldodecyl)guanidine
SMILESCC(C)CCCCCCCCCCN=C(N)N
InChIInChI=1S/C14H31N3/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-14(15)16/h13H,3-12H2,1-2H3,(H4,15,16,17)
InChIKeyCXZPGYOABFURFD-UHFFFAOYSA-N
XLogP3.43
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(11-methyldodecyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(11-methyldodecyl)guanidine?
The IUPAC name of 2-(11-methyldodecyl)guanidine (CID 11659147) is 2-(11-methyldodecyl)guanidine.
What is the SMILES notation for 2-(11-methyldodecyl)guanidine?
The canonical SMILES for 2-(11-methyldodecyl)guanidine is CC(C)CCCCCCCCCCN=C(N)N.
What is the InChIKey of 2-(11-methyldodecyl)guanidine?
The InChIKey is CXZPGYOABFURFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-14(15)16/h13H,3-12H2,1-2H3,(H4,15,16,17).
What are the key properties of 2-(11-methyldodecyl)guanidine?
2-(11-methyldodecyl)guanidine has a molecular weight of 241.42 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-methyldodecyl)guanidine is sourced from PubChem (CID 11659147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).