(1-amino-2,2-dimethylpropylidene)azanium chloride

C5H13ClN2 — CID 11263520

IUPAC(1-amino-2,2-dimethylpropylidene)azanium chloride
SMILESCC(C)(C)C(N)=[NH2+].[Cl-]
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-3.85
Rot. Bonds

About (1-amino-2,2-dimethylpropylidene)azanium chloride

(1-amino-2,2-dimethylpropylidene)azanium chloride (PubChem CID 11263520) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is (1-amino-2,2-dimethylpropylidene)azanium chloride.

Molecular Properties

Compound Name(1-amino-2,2-dimethylpropylidene)azanium chloride
PubChem CID11263520
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name(1-amino-2,2-dimethylpropylidene)azanium chloride
SMILESCC(C)(C)C(N)=[NH2+].[Cl-]
InChIInChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
InChIKeyARDGQYVTLGUJII-UHFFFAOYSA-N
XLogP-3.85
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 5-3.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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 (1-amino-2,2-dimethylpropylidene)azanium chloride?
The IUPAC name of (1-amino-2,2-dimethylpropylidene)azanium chloride (CID 11263520) is (1-amino-2,2-dimethylpropylidene)azanium chloride.
What is the SMILES notation for (1-amino-2,2-dimethylpropylidene)azanium chloride?
The canonical SMILES for (1-amino-2,2-dimethylpropylidene)azanium chloride is CC(C)(C)C(N)=[NH2+].[Cl-].
What is the InChIKey of (1-amino-2,2-dimethylpropylidene)azanium 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 (1-amino-2,2-dimethylpropylidene)azanium chloride?
(1-amino-2,2-dimethylpropylidene)azanium chloride has a molecular weight of 136.63 g/mol, XLogP of -3.85, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,2-dimethylpropylidene)azanium chloride is sourced from PubChem (CID 11263520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).