trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium

C10H21N2O+ — CID 10466073

IUPACtrimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(CC)[N+](C)(C)C
InChIInChI=1S/C10H20N2O/c1-7-9(12(4,5)6)11-10(13)8(2)3/h9H,2,7H2,1,3-6H3/p+1
InChIKeyHKIBDDVVMPUUFW-UHFFFAOYSA-O
MW185.29 g/mol
LogP1.12
Rot. Bonds4

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

trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 10466073) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID10466073
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nametrimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(CC)[N+](C)(C)C
InChIInChI=1S/C10H20N2O/c1-7-9(12(4,5)6)11-10(13)8(2)3/h9H,2,7H2,1,3-6H3/p+1
InChIKeyHKIBDDVVMPUUFW-UHFFFAOYSA-O
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

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CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
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2-Propenamide, 2-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-
CID 76531
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride
CID 70682144
N-((Dibutylamino)methyl)acrylamide
CID 92692
N-[(Dibutylamino)methyl]methacrylamide
CID 3021949
Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
2-Methacrylamidoethyl-trimethylammonium chloride
CID 9855811
Methacrylamido propyl trimethylammonium chloride
CID 10192685

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium (CID 10466073) is trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NC(CC)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is HKIBDDVVMPUUFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-7-9(12(4,5)6)11-10(13)8(2)3/h9H,2,7H2,1,3-6H3/p+1.
What are the key properties of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium?
trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 185.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 10466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).