2,2-dimethylpropanediimidamide;dihydrochloride

C5H14Cl2N4 — CID 140977550

IUPAC2,2-dimethylpropanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(C)(C)/C(N)=N/[H]
InChIInChI=1S/C5H12N4.2ClH/c1-5(2,3(6)7)4(8)9;;/h1-2H3,(H3,6,7)(H3,8,9);2*1H
InChIKeyAVTOJWAAXIRJMK-UHFFFAOYSA-N
MW201.10 g/mol
LogP0.73
Rot. Bonds2

About 2,2-dimethylpropanediimidamide;dihydrochloride

2,2-dimethylpropanediimidamide;dihydrochloride (PubChem CID 140977550) has the molecular formula C5H14Cl2N4 and a molecular weight of 201.10 g/mol. Its IUPAC name is 2,2-dimethylpropanediimidamide;dihydrochloride.

Molecular Properties

Compound Name2,2-dimethylpropanediimidamide;dihydrochloride
PubChem CID140977550
Molecular FormulaC5H14Cl2N4
Molecular Weight201.10 g/mol
Exact Mass200.06
IUPAC Name2,2-dimethylpropanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(C)(C)/C(N)=N/[H]
InChIInChI=1S/C5H12N4.2ClH/c1-5(2,3(6)7)4(8)9;;/h1-2H3,(H3,6,7)(H3,8,9);2*1H
InChIKeyAVTOJWAAXIRJMK-UHFFFAOYSA-N
XLogP0.73
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2,2-diaminopropanimidamide
CID 87520938
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanimidamide;hydrochloride
CID 158084062
2-hydroxy-2-methylbutanimidamide
CID 23422942
2-methyl-2-nitrosopropanimidamide
CID 55282032
2,2-dichloropropanediimidamide
CID 4114057
2,2,4,4-tetramethylhexanimidamide
CID 123171886
2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
CID 102530764

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanediimidamide;dihydrochloride?
The IUPAC name of 2,2-dimethylpropanediimidamide;dihydrochloride (CID 140977550) is 2,2-dimethylpropanediimidamide;dihydrochloride.
What is the SMILES notation for 2,2-dimethylpropanediimidamide;dihydrochloride?
The canonical SMILES for 2,2-dimethylpropanediimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C(C)(C)/C(N)=N/[H].
What is the InChIKey of 2,2-dimethylpropanediimidamide;dihydrochloride?
The InChIKey is AVTOJWAAXIRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.2ClH/c1-5(2,3(6)7)4(8)9;;/h1-2H3,(H3,6,7)(H3,8,9);2*1H.
What are the key properties of 2,2-dimethylpropanediimidamide;dihydrochloride?
2,2-dimethylpropanediimidamide;dihydrochloride has a molecular weight of 201.10 g/mol, XLogP of 0.73, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanediimidamide;dihydrochloride is sourced from PubChem (CID 140977550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).