trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride

C8H19ClN3O+ — CID 174542521

IUPACtrimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride
SMILESC=CC(=O)NCCN[N+](C)(C)C.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-5-8(12)9-6-7-10-11(2,3)4;/h5,10H,1,6-7H2,2-4H3;1H/p+1
InChIKeySKXGGLCNHOKEJN-UHFFFAOYSA-O
MW208.71 g/mol
LogP-0.08
Rot. Bonds5

About trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride

trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride (PubChem CID 174542521) has the molecular formula C8H19ClN3O+ and a molecular weight of 208.71 g/mol. Its IUPAC name is trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride.

Molecular Properties

Compound Nametrimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride
PubChem CID174542521
Molecular FormulaC8H19ClN3O+
Molecular Weight208.71 g/mol
Exact Mass208.12
IUPAC Nametrimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride
SMILESC=CC(=O)NCCN[N+](C)(C)C.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-5-8(12)9-6-7-10-11(2,3)4;/h5,10H,1,6-7H2,2-4H3;1H/p+1
InChIKeySKXGGLCNHOKEJN-UHFFFAOYSA-O
XLogP-0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)amino]-, chloride
CID 9855713
(2-Acrylamidopropyl)trimethylammonium chloride
CID 11820325
2-(Acryloylamino)-N,N,N-triethylethan-1-aminium chloride
CID 21902338
2-(Acryloylamino)-N,N,N-triethylethan-1-aminium iodide
CID 53431715
Acrylamidoethyl-dimethylammonium chloride
CID 129721365
Methyl acryloyldiethylenetriamine
CID 155387755
N,N,N-trimethylamino-N-acryloylaminopropylammonium chloride
CID 129761757
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Triethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 4152954
GC357CT9DY
CID 9855714

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride?
The IUPAC name of trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride (CID 174542521) is trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride.
What is the SMILES notation for trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride?
The canonical SMILES for trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride is C=CC(=O)NCCN[N+](C)(C)C.Cl.
What is the InChIKey of trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride?
The InChIKey is SKXGGLCNHOKEJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3O.ClH/c1-5-8(12)9-6-7-10-11(2,3)4;/h5,10H,1,6-7H2,2-4H3;1H/p+1.
What are the key properties of trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride?
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride has a molecular weight of 208.71 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium;hydrochloride is sourced from PubChem (CID 174542521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).