trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide

C14H23IN2 — CID 14450561

IUPACtrimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide
SMILESC=CCN(CC[N+](C)(C)C)c1ccccc1.[I-]
InChIInChI=1S/C14H23N2.HI/c1-5-11-15(12-13-16(2,3)4)14-9-7-6-8-10-14;/h5-10H,1,11-13H2,2-4H3;1H/q+1;/p-1
InChIKeyQZAMMADVJYZSQQ-UHFFFAOYSA-M
MW346.26 g/mol
LogP-0.61
Rot. Bonds6

About trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide

trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide (PubChem CID 14450561) has the molecular formula C14H23IN2 and a molecular weight of 346.26 g/mol. Its IUPAC name is trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide
PubChem CID14450561
Molecular FormulaC14H23IN2
Molecular Weight346.26 g/mol
Exact Mass346.09
IUPAC Nametrimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide
SMILESC=CCN(CC[N+](C)(C)C)c1ccccc1.[I-]
InChIInChI=1S/C14H23N2.HI/c1-5-11-15(12-13-16(2,3)4)14-9-7-6-8-10-14;/h5-10H,1,11-13H2,2-4H3;1H/q+1;/p-1
InChIKeyQZAMMADVJYZSQQ-UHFFFAOYSA-M
XLogP-0.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
2-(N-benzylanilino)ethyl-trimethylazanium iodide
CID 14450569
N'-phenyl-N'-prop-2-enylethane-1,2-diamine
CID 67884989
CID 11374036
CID 11374036
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
N-prop-2-enoxy-N-prop-2-enylaniline
CID 10877921
2-(N-benzylanilino)ethyl-diethyl-methylazanium iodide
CID 18528258
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
CID 138435785
1-methyl-1-phenyl-2-prop-2-enylhydrazine
CID 134935015

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide?
The IUPAC name of trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide (CID 14450561) is trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide.
What is the SMILES notation for trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide?
The canonical SMILES for trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide is C=CCN(CC[N+](C)(C)C)c1ccccc1.[I-].
What is the InChIKey of trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide?
The InChIKey is QZAMMADVJYZSQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23N2.HI/c1-5-11-15(12-13-16(2,3)4)14-9-7-6-8-10-14;/h5-10H,1,11-13H2,2-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide?
trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide has a molecular weight of 346.26 g/mol, XLogP of -0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide is sourced from PubChem (CID 14450561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).