dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride

C9H19ClN2O — CID 22228771

IUPACdimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
SMILESC=CC(=O)NC(C)(C)C[NH+](C)C.[Cl-]
InChIInChI=1S/C9H18N2O.ClH/c1-6-8(12)10-9(2,3)7-11(4)5;/h6H,1,7H2,2-5H3,(H,10,12);1H
InChIKeyVYXCHNBTLDBSRH-UHFFFAOYSA-N
MW206.72 g/mol
LogP-3.78
Rot. Bonds4

About dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride

dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride (PubChem CID 22228771) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
PubChem CID22228771
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Namedimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
SMILESC=CC(=O)NC(C)(C)C[NH+](C)C.[Cl-]
InChIInChI=1S/C9H18N2O.ClH/c1-6-8(12)10-9(2,3)7-11(4)5;/h6H,1,7H2,2-5H3,(H,10,12);1H
InChIKeyVYXCHNBTLDBSRH-UHFFFAOYSA-N
XLogP-3.78
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 5-3.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
The IUPAC name of dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride (CID 22228771) is dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
The canonical SMILES for dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride is C=CC(=O)NC(C)(C)C[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
The InChIKey is VYXCHNBTLDBSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-6-8(12)10-9(2,3)7-11(4)5;/h6H,1,7H2,2-5H3,(H,10,12);1H.
What are the key properties of dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride has a molecular weight of 206.72 g/mol, XLogP of -3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride is sourced from PubChem (CID 22228771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).