2-benzhydrylidenebutylazanium

C17H20N+ — CID 86308121

IUPAC2-benzhydrylidenebutylazanium
SMILESCCC(C[NH3+])=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13,18H2,1H3/p+1
InChIKeyWNKCJOWTKXGERE-UHFFFAOYSA-O
MW238.35 g/mol
LogP3.14
Rot. Bonds4

About 2-benzhydrylidenebutylazanium

2-benzhydrylidenebutylazanium (PubChem CID 86308121) has the molecular formula C17H20N+ and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-benzhydrylidenebutylazanium.

Molecular Properties

Compound Name2-benzhydrylidenebutylazanium
PubChem CID86308121
Molecular FormulaC17H20N+
Molecular Weight238.35 g/mol
Exact Mass238.16
IUPAC Name2-benzhydrylidenebutylazanium
SMILESCCC(C[NH3+])=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13,18H2,1H3/p+1
InChIKeyWNKCJOWTKXGERE-UHFFFAOYSA-O
XLogP3.14
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
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1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidenebutylazanium?
The IUPAC name of 2-benzhydrylidenebutylazanium (CID 86308121) is 2-benzhydrylidenebutylazanium.
What is the SMILES notation for 2-benzhydrylidenebutylazanium?
The canonical SMILES for 2-benzhydrylidenebutylazanium is CCC(C[NH3+])=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylidenebutylazanium?
The InChIKey is WNKCJOWTKXGERE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13,18H2,1H3/p+1.
What are the key properties of 2-benzhydrylidenebutylazanium?
2-benzhydrylidenebutylazanium has a molecular weight of 238.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidenebutylazanium is sourced from PubChem (CID 86308121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).