trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium

C11H23N2O+ — CID 19348922

IUPACtrimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium
SMILESC=CC(=O)NC(C)C(CC)[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-7-10(13(4,5)6)9(3)12-11(14)8-2/h8-10H,2,7H2,1,3-6H3/p+1
InChIKeyKKCZDQJJIYMTPZ-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.16
Rot. Bonds5

About trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium

trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium (PubChem CID 19348922) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium
PubChem CID19348922
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Nametrimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium
SMILESC=CC(=O)NC(C)C(CC)[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-7-10(13(4,5)6)9(3)12-11(14)8-2/h8-10H,2,7H2,1,3-6H3/p+1
InChIKeyKKCZDQJJIYMTPZ-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 trimethyl-[2-(prop-2-enoylamino)pentan-3-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

Related Compounds

[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium
CID 19836216
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium chloride
CID 19836215
diethyl-methyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 87985371
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
sodium;N-butan-2-ylprop-2-enamide;hydrogen sulfate
CID 23683370
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium?
The IUPAC name of trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium (CID 19348922) is trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium.
What is the SMILES notation for trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium?
The canonical SMILES for trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium is C=CC(=O)NC(C)C(CC)[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium?
The InChIKey is KKCZDQJJIYMTPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-7-10(13(4,5)6)9(3)12-11(14)8-2/h8-10H,2,7H2,1,3-6H3/p+1.
What are the key properties of trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium?
trimethyl-[2-(prop-2-enoylamino)pentan-3-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 trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium is sourced from PubChem (CID 19348922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).