ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium

C14H21N2+ — CID 142867517

IUPACethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium
SMILESC=C/[N+](=C\CC)CCN(C)c1ccccc1
InChIInChI=1S/C14H21N2/c1-4-11-16(5-2)13-12-15(3)14-9-7-6-8-10-14/h5-11H,2,4,12-13H2,1,3H3/q+1/b16-11+
InChIKeyQBRWTDIDEJYPOB-LFIBNONCSA-N
MW217.34 g/mol
LogP2.76
Rot. Bonds6

About ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium

ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium (PubChem CID 142867517) has the molecular formula C14H21N2+ and a molecular weight of 217.34 g/mol. Its IUPAC name is ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium.

Molecular Properties

Compound Nameethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium
PubChem CID142867517
Molecular FormulaC14H21N2+
Molecular Weight217.34 g/mol
Exact Mass217.17
IUPAC Nameethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium
SMILESC=C/[N+](=C\CC)CCN(C)c1ccccc1
InChIInChI=1S/C14H21N2/c1-4-11-16(5-2)13-12-15(3)14-9-7-6-8-10-14/h5-11H,2,4,12-13H2,1,3H3/q+1/b16-11+
InChIKeyQBRWTDIDEJYPOB-LFIBNONCSA-N
XLogP2.76
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N-heptyl-N-methylaniline
CID 54015540
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
1-methyl-1-phenyl-2-prop-2-enylhydrazine
CID 134935015
N-methyl-N-[(E)-pent-3-enyl]aniline
CID 162403387
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954

Frequently Asked Questions

What is the IUPAC name of ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium?
The IUPAC name of ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium (CID 142867517) is ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium.
What is the SMILES notation for ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium?
The canonical SMILES for ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium is C=C/[N+](=C\CC)CCN(C)c1ccccc1.
What is the InChIKey of ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium?
The InChIKey is QBRWTDIDEJYPOB-LFIBNONCSA-N. The full InChI is InChI=1S/C14H21N2/c1-4-11-16(5-2)13-12-15(3)14-9-7-6-8-10-14/h5-11H,2,4,12-13H2,1,3H3/q+1/b16-11+.
What are the key properties of ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium?
ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium has a molecular weight of 217.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[2-(N-methylanilino)ethyl]-propylideneazanium is sourced from PubChem (CID 142867517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).