2,2-dichloropropanediimidamide

C3H6Cl2N4 — CID 4114057

IUPAC2,2-dichloropropanediimidamide
SMILES[H]/N=C(\N)C(Cl)(Cl)/C(N)=N/[H]
InChIInChI=1S/C3H6Cl2N4/c4-3(5,1(6)7)2(8)9/h(H3,6,7)(H3,8,9)
InChIKeyRHWHKXVVUOBOCO-UHFFFAOYSA-N
MW169.02 g/mol
LogP0.03
Rot. Bonds2

About 2,2-dichloropropanediimidamide

2,2-dichloropropanediimidamide (PubChem CID 4114057) has the molecular formula C3H6Cl2N4 and a molecular weight of 169.02 g/mol. Its IUPAC name is 2,2-dichloropropanediimidamide.

Molecular Properties

Compound Name2,2-dichloropropanediimidamide
PubChem CID4114057
Molecular FormulaC3H6Cl2N4
Molecular Weight169.02 g/mol
Exact Mass168.00
IUPAC Name2,2-dichloropropanediimidamide
SMILES[H]/N=C(\N)C(Cl)(Cl)/C(N)=N/[H]
InChIInChI=1S/C3H6Cl2N4/c4-3(5,1(6)7)2(8)9/h(H3,6,7)(H3,8,9)
InChIKeyRHWHKXVVUOBOCO-UHFFFAOYSA-N
XLogP0.03
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-diaminopropanimidamide
CID 87520938
2,2-dimethyloctanimidamide
CID 58158153
3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide
CID 151214089
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
2-(2-cyanoacetyl)-2-methylpropanediimidamide
CID 151732695
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanimidamide;hydrochloride
CID 158084062
2-hydroxy-2-methylbutanimidamide
CID 23422942
(2S)-2-amino-2-carbamimidoylhexanoic acid
CID 91503247

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloropropanediimidamide?
The IUPAC name of 2,2-dichloropropanediimidamide (CID 4114057) is 2,2-dichloropropanediimidamide.
What is the SMILES notation for 2,2-dichloropropanediimidamide?
The canonical SMILES for 2,2-dichloropropanediimidamide is [H]/N=C(\N)C(Cl)(Cl)/C(N)=N/[H].
What is the InChIKey of 2,2-dichloropropanediimidamide?
The InChIKey is RHWHKXVVUOBOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2N4/c4-3(5,1(6)7)2(8)9/h(H3,6,7)(H3,8,9).
What are the key properties of 2,2-dichloropropanediimidamide?
2,2-dichloropropanediimidamide has a molecular weight of 169.02 g/mol, XLogP of 0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloropropanediimidamide is sourced from PubChem (CID 4114057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).