trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium

C11H23N2O+ — CID 11820066

IUPACtrimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium
SMILESC=C(C)C(=O)NCCCC[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-10(2)11(14)12-8-6-7-9-13(3,4)5/h1,6-9H2,2-5H3/p+1
InChIKeyCVPHIMUHKCYHAY-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.17
Rot. Bonds6

About trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium

trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium (PubChem CID 11820066) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium
PubChem CID11820066
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Nametrimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium
SMILESC=C(C)C(=O)NCCCC[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-10(2)11(14)12-8-6-7-9-13(3,4)5/h1,6-9H2,2-5H3/p+1
InChIKeyCVPHIMUHKCYHAY-UHFFFAOYSA-O
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-Isopropylmethacrylamide
CID 83698
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium?
The IUPAC name of trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium (CID 11820066) is trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium.
What is the SMILES notation for trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium?
The canonical SMILES for trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium is C=C(C)C(=O)NCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium?
The InChIKey is CVPHIMUHKCYHAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-10(2)11(14)12-8-6-7-9-13(3,4)5/h1,6-9H2,2-5H3/p+1.
What are the key properties of trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium?
trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium has a molecular weight of 199.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium is sourced from PubChem (CID 11820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).