benzyl-[2-(benzylamino)ethyl]azanium

C16H21N2+ — CID 3553946

IUPACbenzyl-[2-(benzylamino)ethyl]azanium
SMILESc1ccc(CNCC[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/p+1
InChIKeyJUHORIMYRDESRB-UHFFFAOYSA-O
MW241.36 g/mol
LogP1.54
Rot. Bonds7

About benzyl-[2-(benzylamino)ethyl]azanium

benzyl-[2-(benzylamino)ethyl]azanium (PubChem CID 3553946) has the molecular formula C16H21N2+ and a molecular weight of 241.36 g/mol. Its IUPAC name is benzyl-[2-(benzylamino)ethyl]azanium.

Molecular Properties

Compound Namebenzyl-[2-(benzylamino)ethyl]azanium
PubChem CID3553946
Molecular FormulaC16H21N2+
Molecular Weight241.36 g/mol
Exact Mass241.17
IUPAC Namebenzyl-[2-(benzylamino)ethyl]azanium
SMILESc1ccc(CNCC[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/p+1
InChIKeyJUHORIMYRDESRB-UHFFFAOYSA-O
XLogP1.54
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibenzylazanium iodide
CID 15533239
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzylpropan-1-amine;ethane;propane
CID 145164103
benzyl(butyl)azanium fluoride
CID 161148971
azane;N-benzylbutan-1-amine
CID 175388745
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
4-(benzylamino)butane-1-selenol
CID 175343698
(benzylamino)methanethiol
CID 88942779

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(benzylamino)ethyl]azanium?
The IUPAC name of benzyl-[2-(benzylamino)ethyl]azanium (CID 3553946) is benzyl-[2-(benzylamino)ethyl]azanium.
What is the SMILES notation for benzyl-[2-(benzylamino)ethyl]azanium?
The canonical SMILES for benzyl-[2-(benzylamino)ethyl]azanium is c1ccc(CNCC[NH2+]Cc2ccccc2)cc1.
What is the InChIKey of benzyl-[2-(benzylamino)ethyl]azanium?
The InChIKey is JUHORIMYRDESRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/p+1.
What are the key properties of benzyl-[2-(benzylamino)ethyl]azanium?
benzyl-[2-(benzylamino)ethyl]azanium has a molecular weight of 241.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(benzylamino)ethyl]azanium is sourced from PubChem (CID 3553946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).