ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium

C11H23N2O+ — CID 87943809

IUPACethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium
SMILESC=C(C)C(=O)NCC(C)[N+](C)(C)CC
InChIInChI=1S/C11H22N2O/c1-7-13(5,6)10(4)8-12-11(14)9(2)3/h10H,2,7-8H2,1,3-6H3/p+1
InChIKeyPYCQMBAZIFNNCK-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.16
Rot. Bonds5

About ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium

ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium (PubChem CID 87943809) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium
PubChem CID87943809
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Nameethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium
SMILESC=C(C)C(=O)NCC(C)[N+](C)(C)CC
InChIInChI=1S/C11H22N2O/c1-7-13(5,6)10(4)8-12-11(14)9(2)3/h10H,2,7-8H2,1,3-6H3/p+1
InChIKeyPYCQMBAZIFNNCK-UHFFFAOYSA-O
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.16
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'}

Analyze ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]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 ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium?
The IUPAC name of ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium (CID 87943809) is ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium.
What is the SMILES notation for ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium?
The canonical SMILES for ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium is C=C(C)C(=O)NCC(C)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium?
The InChIKey is PYCQMBAZIFNNCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-7-13(5,6)10(4)8-12-11(14)9(2)3/h10H,2,7-8H2,1,3-6H3/p+1.
What are the key properties of ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium?
ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium has a molecular weight of 199.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium is sourced from PubChem (CID 87943809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).