2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride

C11H19ClN4 — CID 6918035

IUPAC2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride
SMILESCc1cccc(C)c1N/N=C(/N)N(C)C.Cl
InChIInChI=1S/C11H18N4.ClH/c1-8-6-5-7-9(2)10(8)13-14-11(12)15(3)4;/h5-7,13H,1-4H3,(H2,12,14);1H
InChIKeyLBTUHNNCEFYFFH-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.93
Rot. Bonds2

About 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride

2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride (PubChem CID 6918035) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride
PubChem CID6918035
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride
SMILESCc1cccc(C)c1N/N=C(/N)N(C)C.Cl
InChIInChI=1S/C11H18N4.ClH/c1-8-6-5-7-9(2)10(8)13-14-11(12)15(3)4;/h5-7,13H,1-4H3,(H2,12,14);1H
InChIKeyLBTUHNNCEFYFFH-UHFFFAOYSA-N
XLogP1.93
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride?
The IUPAC name of 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride (CID 6918035) is 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride.
What is the SMILES notation for 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride?
The canonical SMILES for 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride is Cc1cccc(C)c1N/N=C(/N)N(C)C.Cl.
What is the InChIKey of 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride?
The InChIKey is LBTUHNNCEFYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.ClH/c1-8-6-5-7-9(2)10(8)13-14-11(12)15(3)4;/h5-7,13H,1-4H3,(H2,12,14);1H.
What are the key properties of 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride?
2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride is sourced from PubChem (CID 6918035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).