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

C10H21ClN2O — CID 11775668

IUPACtrimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
SMILESC=CC(=O)NC(C)(C)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-7-9(13)11-10(2,3)8-12(4,5)6;/h7H,1,8H2,2-6H3;1H
InChIKeyLMRVIBGXKPAZLP-UHFFFAOYSA-N
MW220.74 g/mol
LogP-2.22
Rot. Bonds4

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

trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride (PubChem CID 11775668) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
PubChem CID11775668
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Nametrimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
SMILESC=CC(=O)NC(C)(C)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-7-9(13)11-10(2,3)8-12(4,5)6;/h7H,1,8H2,2-6H3;1H
InChIKeyLMRVIBGXKPAZLP-UHFFFAOYSA-N
XLogP-2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride (CID 11775668) is trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride is C=CC(=O)NC(C)(C)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
The InChIKey is LMRVIBGXKPAZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-7-9(13)11-10(2,3)8-12(4,5)6;/h7H,1,8H2,2-6H3;1H.
What are the key properties of trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride?
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride has a molecular weight of 220.74 g/mol, XLogP of -2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride is sourced from PubChem (CID 11775668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).