2,2-dimethylpropanimidamide;hydron;chloride

C5H13ClN2 — CID 91996381

IUPAC2,2-dimethylpropanimidamide;hydron;chloride
SMILES[Cl-].[H+].[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
LogP-1.92
Rot. Bonds

About 2,2-dimethylpropanimidamide;hydron;chloride

2,2-dimethylpropanimidamide;hydron;chloride (PubChem CID 91996381) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is 2,2-dimethylpropanimidamide;hydron;chloride.

Molecular Properties

Compound Name2,2-dimethylpropanimidamide;hydron;chloride
PubChem CID91996381
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name2,2-dimethylpropanimidamide;hydron;chloride
SMILES[Cl-].[H+].[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
XLogP-1.92
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 ≤ 5-1.92
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanimidamide;hydron;chloride?
The IUPAC name of 2,2-dimethylpropanimidamide;hydron;chloride (CID 91996381) is 2,2-dimethylpropanimidamide;hydron;chloride.
What is the SMILES notation for 2,2-dimethylpropanimidamide;hydron;chloride?
The canonical SMILES for 2,2-dimethylpropanimidamide;hydron;chloride is [Cl-].[H+].[H]/N=C(\N)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanimidamide;hydron;chloride?
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;hydron;chloride?
2,2-dimethylpropanimidamide;hydron;chloride has a molecular weight of 136.63 g/mol, XLogP of -1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanimidamide;hydron;chloride is sourced from PubChem (CID 91996381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).