2,2-dimethylpropanimidamide;hydrochloride

C5H13ClN2 — CID 2781880

IUPAC2,2-dimethylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)(C)C
InChIInChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
InChIKeyARDGQYVTLGUJII-UHFFFAOYSA-N
MW136.63 g/mol
LogP1.39
Rot. Bonds

About 2,2-dimethylpropanimidamide;hydrochloride

2,2-dimethylpropanimidamide;hydrochloride (PubChem CID 2781880) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is 2,2-dimethylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethylpropanimidamide;hydrochloride
PubChem CID2781880
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name2,2-dimethylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)(C)C
InChIInChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
InChIKeyARDGQYVTLGUJII-UHFFFAOYSA-N
XLogP1.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 51.39
H-Bond Donors ≤ 52
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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Related Compounds

2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanimidamide;hydrochloride
CID 158084062
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2,2-diaminopropanimidamide
CID 87520938
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
2-hydroxy-2-methylbutanimidamide
CID 23422942
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
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-dimethylpropanimidamide;hydrochloride?
The IUPAC name of 2,2-dimethylpropanimidamide;hydrochloride (CID 2781880) is 2,2-dimethylpropanimidamide;hydrochloride.
What is the SMILES notation for 2,2-dimethylpropanimidamide;hydrochloride?
The canonical SMILES for 2,2-dimethylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanimidamide;hydrochloride?
The InChIKey is ARDGQYVTLGUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H.
What are the key properties of 2,2-dimethylpropanimidamide;hydrochloride?
2,2-dimethylpropanimidamide;hydrochloride has a molecular weight of 136.63 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanimidamide;hydrochloride is sourced from PubChem (CID 2781880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).