trimethyl-(2-phenylethenylamino)azanium;hydrochloride

C11H18ClN2+ — CID 174582449

IUPACtrimethyl-(2-phenylethenylamino)azanium;hydrochloride
SMILESC[N+](C)(C)NC=Cc1ccccc1.Cl
InChIInChI=1S/C11H17N2.ClH/c1-13(2,3)12-10-9-11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/q+1;
InChIKeyZBWMBIRGQWLQCU-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.29
Rot. Bonds3

About trimethyl-(2-phenylethenylamino)azanium;hydrochloride

trimethyl-(2-phenylethenylamino)azanium;hydrochloride (PubChem CID 174582449) has the molecular formula C11H18ClN2+ and a molecular weight of 213.73 g/mol. Its IUPAC name is trimethyl-(2-phenylethenylamino)azanium;hydrochloride.

Molecular Properties

Compound Nametrimethyl-(2-phenylethenylamino)azanium;hydrochloride
PubChem CID174582449
Molecular FormulaC11H18ClN2+
Molecular Weight213.73 g/mol
Exact Mass213.12
IUPAC Nametrimethyl-(2-phenylethenylamino)azanium;hydrochloride
SMILESC[N+](C)(C)NC=Cc1ccccc1.Cl
InChIInChI=1S/C11H17N2.ClH/c1-13(2,3)12-10-9-11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/q+1;
InChIKeyZBWMBIRGQWLQCU-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 68656245
CID 68656245
trimethyl-[(E)-2-phenylethenyl]azanium chloride
CID 87786128
N-(2-phenylethenyl)acetamide
CID 54032077
CID 70567885
CID 70567885
CID 70569152
CID 70569152
N,N-dimethylmethanamine;stilbene
CID 174368184
CID 148518460
CID 148518460
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
2-phenylethenylcarbamic acid
CID 151881054
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-phenylethenylamino)azanium;hydrochloride?
The IUPAC name of trimethyl-(2-phenylethenylamino)azanium;hydrochloride (CID 174582449) is trimethyl-(2-phenylethenylamino)azanium;hydrochloride.
What is the SMILES notation for trimethyl-(2-phenylethenylamino)azanium;hydrochloride?
The canonical SMILES for trimethyl-(2-phenylethenylamino)azanium;hydrochloride is C[N+](C)(C)NC=Cc1ccccc1.Cl.
What is the InChIKey of trimethyl-(2-phenylethenylamino)azanium;hydrochloride?
The InChIKey is ZBWMBIRGQWLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2.ClH/c1-13(2,3)12-10-9-11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/q+1;.
What are the key properties of trimethyl-(2-phenylethenylamino)azanium;hydrochloride?
trimethyl-(2-phenylethenylamino)azanium;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-phenylethenylamino)azanium;hydrochloride is sourced from PubChem (CID 174582449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).