trimethyl-(2-methylprop-2-enoylamino)azanium

C7H15N2O+ — CID 19693224

IUPACtrimethyl-(2-methylprop-2-enoylamino)azanium
SMILESC=C(C)C(=O)N[N+](C)(C)C
InChIInChI=1S/C7H14N2O/c1-6(2)7(10)8-9(3,4)5/h1H2,2-5H3/p+1
InChIKeyMQDUFEHRWPTOPM-UHFFFAOYSA-O
MW143.21 g/mol
LogP0.30
Rot. Bonds2

About trimethyl-(2-methylprop-2-enoylamino)azanium

trimethyl-(2-methylprop-2-enoylamino)azanium (PubChem CID 19693224) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is trimethyl-(2-methylprop-2-enoylamino)azanium.

Molecular Properties

Compound Nametrimethyl-(2-methylprop-2-enoylamino)azanium
PubChem CID19693224
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Nametrimethyl-(2-methylprop-2-enoylamino)azanium
SMILESC=C(C)C(=O)N[N+](C)(C)C
InChIInChI=1S/C7H14N2O/c1-6(2)7(10)8-9(3,4)5/h1H2,2-5H3/p+1
InChIKeyMQDUFEHRWPTOPM-UHFFFAOYSA-O
XLogP0.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-methylprop-2-enoylamino)azanium?
The IUPAC name of trimethyl-(2-methylprop-2-enoylamino)azanium (CID 19693224) is trimethyl-(2-methylprop-2-enoylamino)azanium.
What is the SMILES notation for trimethyl-(2-methylprop-2-enoylamino)azanium?
The canonical SMILES for trimethyl-(2-methylprop-2-enoylamino)azanium is C=C(C)C(=O)N[N+](C)(C)C.
What is the InChIKey of trimethyl-(2-methylprop-2-enoylamino)azanium?
The InChIKey is MQDUFEHRWPTOPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-6(2)7(10)8-9(3,4)5/h1H2,2-5H3/p+1.
What are the key properties of trimethyl-(2-methylprop-2-enoylamino)azanium?
trimethyl-(2-methylprop-2-enoylamino)azanium has a molecular weight of 143.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methylprop-2-enoylamino)azanium is sourced from PubChem (CID 19693224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).