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

C10H22N3O+ — CID 54362517

IUPACdimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NC(C)[N+](C)(C)N(C)C
InChIInChI=1S/C10H21N3O/c1-8(2)10(14)11-9(3)13(6,7)12(4)5/h9H,1H2,2-7H3/p+1
InChIKeyNFCSJUGFXDFZPE-UHFFFAOYSA-O
MW200.31 g/mol
LogP0.58
Rot. Bonds4

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

dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium (PubChem CID 54362517) has the molecular formula C10H22N3O+ and a molecular weight of 200.31 g/mol. Its IUPAC name is dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Namedimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium
PubChem CID54362517
Molecular FormulaC10H22N3O+
Molecular Weight200.31 g/mol
Exact Mass200.18
IUPAC Namedimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NC(C)[N+](C)(C)N(C)C
InChIInChI=1S/C10H21N3O/c1-8(2)10(14)11-9(3)13(6,7)12(4)5/h9H,1H2,2-7H3/p+1
InChIKeyNFCSJUGFXDFZPE-UHFFFAOYSA-O
XLogP0.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

N-((Dibutylamino)methyl)methacrylamide
CID 3021949
Methacrylamido propyl trimethylammonium chloride
CID 10192685
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
CID 10466073
N-((Diethylamino)methyl)methacrylamide
CID 82447
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 3017753
N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride
CID 177845413
Dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium
CID 10192686
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 10466072
2-Methylprop-2-enoate;trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
CID 17840752
N-(1-aminoethyl)-2-methylprop-2-enamide
CID 17905295
N-(1-aminopropyl)-2-methylprop-2-enamide
CID 18185925
N-[1-(diethylamino)ethyl]-2-methylprop-2-enamide
CID 18325513

Frequently Asked Questions

What is the IUPAC name of dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium?
The IUPAC name of dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium (CID 54362517) is dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium?
The canonical SMILES for dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium is C=C(C)C(=O)NC(C)[N+](C)(C)N(C)C.
What is the InChIKey of dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium?
The InChIKey is NFCSJUGFXDFZPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N3O/c1-8(2)10(14)11-9(3)13(6,7)12(4)5/h9H,1H2,2-7H3/p+1.
What are the key properties of dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium?
dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium has a molecular weight of 200.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]azanium is sourced from PubChem (CID 54362517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).