2,3-dichloro-1,1-dimethylguanidine

C3H7Cl2N3 — CID 175030933

IUPAC2,3-dichloro-1,1-dimethylguanidine
SMILESCN(C)C(=NCl)NCl
InChIInChI=1S/C3H7Cl2N3/c1-8(2)3(6-4)7-5/h1-2H3,(H,6,7)
InChIKeyXDKUHXXJEXUODZ-UHFFFAOYSA-N
MW156.02 g/mol
LogP0.80
Rot. Bonds

About 2,3-dichloro-1,1-dimethylguanidine

2,3-dichloro-1,1-dimethylguanidine (PubChem CID 175030933) has the molecular formula C3H7Cl2N3 and a molecular weight of 156.02 g/mol. Its IUPAC name is 2,3-dichloro-1,1-dimethylguanidine.

Molecular Properties

Compound Name2,3-dichloro-1,1-dimethylguanidine
PubChem CID175030933
Molecular FormulaC3H7Cl2N3
Molecular Weight156.02 g/mol
Exact Mass155.00
IUPAC Name2,3-dichloro-1,1-dimethylguanidine
SMILESCN(C)C(=NCl)NCl
InChIInChI=1S/C3H7Cl2N3/c1-8(2)3(6-4)7-5/h1-2H3,(H,6,7)
InChIKeyXDKUHXXJEXUODZ-UHFFFAOYSA-N
XLogP0.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 50.80
H-Bond Donors ≤ 51
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

guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
N'-chloro-N-hydroxyethanimidamide
CID 87955097
2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride
CID 173362671
copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
2-ethyl-1,1-dimethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111203341
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
2-ethyl-3-heptan-2-yl-1,1-dimethylguanidine;hydroiodide
CID 111194939
(N,N,N'-trimethylcarbamimidoyl)urea
CID 163885409
N,N-dimethyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 170048230
3-hydroxy-1,1-dimethyl-2-(4-methylpentyl)guanidine
CID 170098018
calcium;1,1,2,3-tetramethylguanidine;carbonate
CID 87562233
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1,1-dimethylguanidine?
The IUPAC name of 2,3-dichloro-1,1-dimethylguanidine (CID 175030933) is 2,3-dichloro-1,1-dimethylguanidine.
What is the SMILES notation for 2,3-dichloro-1,1-dimethylguanidine?
The canonical SMILES for 2,3-dichloro-1,1-dimethylguanidine is CN(C)C(=NCl)NCl.
What is the InChIKey of 2,3-dichloro-1,1-dimethylguanidine?
The InChIKey is XDKUHXXJEXUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2N3/c1-8(2)3(6-4)7-5/h1-2H3,(H,6,7).
What are the key properties of 2,3-dichloro-1,1-dimethylguanidine?
2,3-dichloro-1,1-dimethylguanidine has a molecular weight of 156.02 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,1-dimethylguanidine is sourced from PubChem (CID 175030933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).