benzyl(ditert-butyl)azanium

C15H26N+ — CID 58320117

IUPACbenzyl(ditert-butyl)azanium
SMILESCC(C)(C)[NH+](Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25N/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3/p+1
InChIKeyDEGFICBXEWJDJM-UHFFFAOYSA-O
MW220.38 g/mol
LogP2.67
Rot. Bonds2

About benzyl(ditert-butyl)azanium

benzyl(ditert-butyl)azanium (PubChem CID 58320117) has the molecular formula C15H26N+ and a molecular weight of 220.38 g/mol. Its IUPAC name is benzyl(ditert-butyl)azanium.

Molecular Properties

Compound Namebenzyl(ditert-butyl)azanium
PubChem CID58320117
Molecular FormulaC15H26N+
Molecular Weight220.38 g/mol
Exact Mass220.21
IUPAC Namebenzyl(ditert-butyl)azanium
SMILESCC(C)(C)[NH+](Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25N/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3/p+1
InChIKeyDEGFICBXEWJDJM-UHFFFAOYSA-O
XLogP2.67
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzyl(ditert-butyl)azanium?
The IUPAC name of benzyl(ditert-butyl)azanium (CID 58320117) is benzyl(ditert-butyl)azanium.
What is the SMILES notation for benzyl(ditert-butyl)azanium?
The canonical SMILES for benzyl(ditert-butyl)azanium is CC(C)(C)[NH+](Cc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl(ditert-butyl)azanium?
The InChIKey is DEGFICBXEWJDJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3/p+1.
What are the key properties of benzyl(ditert-butyl)azanium?
benzyl(ditert-butyl)azanium has a molecular weight of 220.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(ditert-butyl)azanium is sourced from PubChem (CID 58320117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).