2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride

C5H13Cl2N3 — CID 87257767

IUPAC2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride
SMILESCN(C)C(=NCl)N(C)C.Cl
InChIInChI=1S/C5H12ClN3.ClH/c1-8(2)5(7-6)9(3)4;/h1-4H3;1H
InChIKeyLFIRNOXFDKMJCJ-UHFFFAOYSA-N
MW186.09 g/mol
LogP1.04
Rot. Bonds

About 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride

2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride (PubChem CID 87257767) has the molecular formula C5H13Cl2N3 and a molecular weight of 186.09 g/mol. Its IUPAC name is 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride
PubChem CID87257767
Molecular FormulaC5H13Cl2N3
Molecular Weight186.09 g/mol
Exact Mass185.05
IUPAC Name2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride
SMILESCN(C)C(=NCl)N(C)C.Cl
InChIInChI=1S/C5H12ClN3.ClH/c1-8(2)5(7-6)9(3)4;/h1-4H3;1H
InChIKeyLFIRNOXFDKMJCJ-UHFFFAOYSA-N
XLogP1.04
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride?
The IUPAC name of 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride (CID 87257767) is 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride.
What is the SMILES notation for 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride?
The canonical SMILES for 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride is CN(C)C(=NCl)N(C)C.Cl.
What is the InChIKey of 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride?
The InChIKey is LFIRNOXFDKMJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN3.ClH/c1-8(2)5(7-6)9(3)4;/h1-4H3;1H.
What are the key properties of 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride?
2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride has a molecular weight of 186.09 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,3,3-tetramethylguanidine;hydrochloride is sourced from PubChem (CID 87257767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).