benzyl-bis(prop-2-enyl)azanium

C13H18N+ — CID 40521371

IUPACbenzyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2/p+1
InChIKeyLAVWIZQBXPOEEM-UHFFFAOYSA-O
MW188.29 g/mol
LogP1.44
Rot. Bonds6

About benzyl-bis(prop-2-enyl)azanium

benzyl-bis(prop-2-enyl)azanium (PubChem CID 40521371) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is benzyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebenzyl-bis(prop-2-enyl)azanium
PubChem CID40521371
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Namebenzyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2/p+1
InChIKeyLAVWIZQBXPOEEM-UHFFFAOYSA-O
XLogP1.44
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-bis(prop-2-enyl)azanium?
The IUPAC name of benzyl-bis(prop-2-enyl)azanium (CID 40521371) is benzyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for benzyl-bis(prop-2-enyl)azanium?
The canonical SMILES for benzyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)Cc1ccccc1.
What is the InChIKey of benzyl-bis(prop-2-enyl)azanium?
The InChIKey is LAVWIZQBXPOEEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17N/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2/p+1.
What are the key properties of benzyl-bis(prop-2-enyl)azanium?
benzyl-bis(prop-2-enyl)azanium has a molecular weight of 188.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 40521371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).