tert-butyl(phenyl)azanide

C10H14N- — CID 101391554

IUPACtert-butyl(phenyl)azanide
SMILESCC(C)(C)[N-]c1ccccc1
InChIInChI=1S/C10H14N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3/q-1
InChIKeyHAOQNOSMUYEFOI-UHFFFAOYSA-N
MW148.23 g/mol
LogP3.49
Rot. Bonds1

About tert-butyl(phenyl)azanide

tert-butyl(phenyl)azanide (PubChem CID 101391554) has the molecular formula C10H14N- and a molecular weight of 148.23 g/mol. Its IUPAC name is tert-butyl(phenyl)azanide.

Molecular Properties

Compound Nametert-butyl(phenyl)azanide
PubChem CID101391554
Molecular FormulaC10H14N-
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Nametert-butyl(phenyl)azanide
SMILESCC(C)(C)[N-]c1ccccc1
InChIInChI=1S/C10H14N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3/q-1
InChIKeyHAOQNOSMUYEFOI-UHFFFAOYSA-N
XLogP3.49
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(phenyl)azanide?
The IUPAC name of tert-butyl(phenyl)azanide (CID 101391554) is tert-butyl(phenyl)azanide.
What is the SMILES notation for tert-butyl(phenyl)azanide?
The canonical SMILES for tert-butyl(phenyl)azanide is CC(C)(C)[N-]c1ccccc1.
What is the InChIKey of tert-butyl(phenyl)azanide?
The InChIKey is HAOQNOSMUYEFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3/q-1.
What are the key properties of tert-butyl(phenyl)azanide?
tert-butyl(phenyl)azanide has a molecular weight of 148.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(phenyl)azanide is sourced from PubChem (CID 101391554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).