2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium

C11H23N2O2+ — CID 54076719

IUPAC2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(CC)[N+](C)(C)CCO
InChIInChI=1S/C11H22N2O2/c1-6-10(12-11(15)9(2)3)13(4,5)7-8-14/h10,14H,2,6-8H2,1,3-5H3/p+1
InChIKeyMKFLXNOVQZERKE-UHFFFAOYSA-O
MW215.32 g/mol
LogP0.48
Rot. Bonds6

About 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium

2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 54076719) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID54076719
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(CC)[N+](C)(C)CCO
InChIInChI=1S/C11H22N2O2/c1-6-10(12-11(15)9(2)3)13(4,5)7-8-14/h10,14H,2,6-8H2,1,3-5H3/p+1
InChIKeyMKFLXNOVQZERKE-UHFFFAOYSA-O
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]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 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium (CID 54076719) is 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NC(CC)[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is MKFLXNOVQZERKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-6-10(12-11(15)9(2)3)13(4,5)7-8-14/h10,14H,2,6-8H2,1,3-5H3/p+1.
What are the key properties of 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 215.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 54076719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).