dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride

C14H22ClN — CID 139432999

IUPACdimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
SMILESC=CC(c1ccccc1)[N+](C)(C)C(C)C.[Cl-]
InChIInChI=1S/C14H22N.ClH/c1-6-14(15(4,5)12(2)3)13-10-8-7-9-11-13;/h6-12,14H,1H2,2-5H3;1H/q+1;/p-1
InChIKeyLSLWQXLWGVWCKI-UHFFFAOYSA-M
MW239.79 g/mol
LogP0.40
Rot. Bonds4

About dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride

dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride (PubChem CID 139432999) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride.

Molecular Properties

Compound Namedimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
PubChem CID139432999
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Namedimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
SMILESC=CC(c1ccccc1)[N+](C)(C)C(C)C.[Cl-]
InChIInChI=1S/C14H22N.ClH/c1-6-14(15(4,5)12(2)3)13-10-8-7-9-11-13;/h6-12,14H,1H2,2-5H3;1H/q+1;/p-1
InChIKeyLSLWQXLWGVWCKI-UHFFFAOYSA-M
XLogP0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-(1-phenylprop-2-enyl)azanium
CID 22066560
(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium
CID 91468950
tributyl(1-phenylprop-2-enyl)azanium chloride
CID 22044442
trimethyl-(2-oxo-1-phenylethyl)azanium
CID 141410240
ethane-1,2-diol;bis(2-methylprop-2-enoate);tris(trimethyl(1-phenylprop-2-enyl)azanium);chloride
CID 173013341
benzyl-dimethyl-(1-phenylprop-2-enyl)azanium;4-ethenylpyridine;chloride
CID 86735557
tridodecyl(1-phenylprop-2-enyl)azanium
CID 87960565
[but-3-en-2-yloxy(hydroperoxy)methyl]benzene
CID 10535811
N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine
CID 134994662
1-methoxyprop-2-enylbenzene
CID 11029990
penta-1,4-dien-3-ylbenzene
CID 15879286
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride?
The IUPAC name of dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride (CID 139432999) is dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride.
What is the SMILES notation for dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride?
The canonical SMILES for dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride is C=CC(c1ccccc1)[N+](C)(C)C(C)C.[Cl-].
What is the InChIKey of dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride?
The InChIKey is LSLWQXLWGVWCKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22N.ClH/c1-6-14(15(4,5)12(2)3)13-10-8-7-9-11-13;/h6-12,14H,1H2,2-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride?
dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride has a molecular weight of 239.79 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride is sourced from PubChem (CID 139432999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).