trimethyl-[prop-2-enoyl(propyl)amino]azanium

C9H19N2O+ — CID 19604698

IUPACtrimethyl-[prop-2-enoyl(propyl)amino]azanium
SMILESC=CC(=O)N(CCC)[N+](C)(C)C
InChIInChI=1S/C9H19N2O/c1-6-8-10(9(12)7-2)11(3,4)5/h7H,2,6,8H2,1,3-5H3/q+1
InChIKeyMZQMYVBUWGWFMW-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.03
Rot. Bonds4

About trimethyl-[prop-2-enoyl(propyl)amino]azanium

trimethyl-[prop-2-enoyl(propyl)amino]azanium (PubChem CID 19604698) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is trimethyl-[prop-2-enoyl(propyl)amino]azanium.

Molecular Properties

Compound Nametrimethyl-[prop-2-enoyl(propyl)amino]azanium
PubChem CID19604698
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Nametrimethyl-[prop-2-enoyl(propyl)amino]azanium
SMILESC=CC(=O)N(CCC)[N+](C)(C)C
InChIInChI=1S/C9H19N2O/c1-6-8-10(9(12)7-2)11(3,4)5/h7H,2,6,8H2,1,3-5H3/q+1
InChIKeyMZQMYVBUWGWFMW-UHFFFAOYSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
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'}

Analyze trimethyl-[prop-2-enoyl(propyl)amino]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[prop-2-enoyl(propyl)amino]azanium?
The IUPAC name of trimethyl-[prop-2-enoyl(propyl)amino]azanium (CID 19604698) is trimethyl-[prop-2-enoyl(propyl)amino]azanium.
What is the SMILES notation for trimethyl-[prop-2-enoyl(propyl)amino]azanium?
The canonical SMILES for trimethyl-[prop-2-enoyl(propyl)amino]azanium is C=CC(=O)N(CCC)[N+](C)(C)C.
What is the InChIKey of trimethyl-[prop-2-enoyl(propyl)amino]azanium?
The InChIKey is MZQMYVBUWGWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-6-8-10(9(12)7-2)11(3,4)5/h7H,2,6,8H2,1,3-5H3/q+1.
What are the key properties of trimethyl-[prop-2-enoyl(propyl)amino]azanium?
trimethyl-[prop-2-enoyl(propyl)amino]azanium has a molecular weight of 171.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[prop-2-enoyl(propyl)amino]azanium is sourced from PubChem (CID 19604698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).