1-chloro-1,2,3,3-tetramethylguanidine

C5H12ClN3 — CID 53439431

IUPAC1-chloro-1,2,3,3-tetramethylguanidine
SMILESC/N=C(\N(C)C)N(C)Cl
InChIInChI=1S/C5H12ClN3/c1-7-5(8(2)3)9(4)6/h1-4H3/b7-5+
InChIKeyFKHRGSNYQYOEIS-FNORWQNLSA-N
MW149.62 g/mol
LogP0.62
Rot. Bonds

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

1-chloro-1,2,3,3-tetramethylguanidine (PubChem CID 53439431) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-chloro-1,2,3,3-tetramethylguanidine.

Molecular Properties

Compound Name1-chloro-1,2,3,3-tetramethylguanidine
PubChem CID53439431
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name1-chloro-1,2,3,3-tetramethylguanidine
SMILESC/N=C(\N(C)C)N(C)Cl
InChIInChI=1S/C5H12ClN3/c1-7-5(8(2)3)9(4)6/h1-4H3/b7-5+
InChIKeyFKHRGSNYQYOEIS-FNORWQNLSA-N
XLogP0.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.62
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N',N''-Pentamethylguanidine
CID 139457
Hexamethylguanidinium
CID 2759274
Hexamethylguanidinium chloride
CID 10171284
trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium
CID 17849739
2-Chloro-1,1,3,3-tetramethylguanidine
CID 85971198
Pentamethyl-Guanidinhydrochlorid
CID 129890699
N-(Bis(dimethylamino)methylene)-N-methylmethanaminium chloride hydrochloride
CID 22389536
trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride
CID 23166293
copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide
CID 59013504
methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;ruthenium(1+)
CID 59997496
[Dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride
CID 87119067
2-Chloro-1,1,3,3-tetramethylguanidine;hydrochloride
CID 87257767

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,3,3-tetramethylguanidine?
The IUPAC name of 1-chloro-1,2,3,3-tetramethylguanidine (CID 53439431) is 1-chloro-1,2,3,3-tetramethylguanidine.
What is the SMILES notation for 1-chloro-1,2,3,3-tetramethylguanidine?
The canonical SMILES for 1-chloro-1,2,3,3-tetramethylguanidine is C/N=C(\N(C)C)N(C)Cl.
What is the InChIKey of 1-chloro-1,2,3,3-tetramethylguanidine?
The InChIKey is FKHRGSNYQYOEIS-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12ClN3/c1-7-5(8(2)3)9(4)6/h1-4H3/b7-5+.
What are the key properties of 1-chloro-1,2,3,3-tetramethylguanidine?
1-chloro-1,2,3,3-tetramethylguanidine has a molecular weight of 149.62 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,3,3-tetramethylguanidine is sourced from PubChem (CID 53439431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).