(3-tert-butylphenyl)azanium

C10H16N+ — CID 147404652

IUPAC(3-tert-butylphenyl)azanium
SMILESCC(C)(C)c1cccc([NH3+])c1
InChIInChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3/p+1
InChIKeyDPKTVUKEPNBABS-UHFFFAOYSA-O
MW150.24 g/mol
LogP1.86
Rot. Bonds

About (3-tert-butylphenyl)azanium

(3-tert-butylphenyl)azanium (PubChem CID 147404652) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is (3-tert-butylphenyl)azanium.

Molecular Properties

Compound Name(3-tert-butylphenyl)azanium
PubChem CID147404652
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Name(3-tert-butylphenyl)azanium
SMILESCC(C)(C)c1cccc([NH3+])c1
InChIInChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3/p+1
InChIKeyDPKTVUKEPNBABS-UHFFFAOYSA-O
XLogP1.86
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)azanium?
The IUPAC name of (3-tert-butylphenyl)azanium (CID 147404652) is (3-tert-butylphenyl)azanium.
What is the SMILES notation for (3-tert-butylphenyl)azanium?
The canonical SMILES for (3-tert-butylphenyl)azanium is CC(C)(C)c1cccc([NH3+])c1.
What is the InChIKey of (3-tert-butylphenyl)azanium?
The InChIKey is DPKTVUKEPNBABS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3/p+1.
What are the key properties of (3-tert-butylphenyl)azanium?
(3-tert-butylphenyl)azanium has a molecular weight of 150.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)azanium is sourced from PubChem (CID 147404652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).