tert-butyl-(3,5-dimethylphenyl)azanide

C12H18N- — CID 101349910

IUPACtert-butyl-(3,5-dimethylphenyl)azanide
SMILESCc1cc(C)cc([N-]C(C)(C)C)c1
InChIInChI=1S/C12H18N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8H,1-5H3/q-1
InChIKeyRZWOXIINIVXDMP-UHFFFAOYSA-N
MW176.28 g/mol
LogP4.11
Rot. Bonds1

About tert-butyl-(3,5-dimethylphenyl)azanide

tert-butyl-(3,5-dimethylphenyl)azanide (PubChem CID 101349910) has the molecular formula C12H18N- and a molecular weight of 176.28 g/mol. Its IUPAC name is tert-butyl-(3,5-dimethylphenyl)azanide.

Molecular Properties

Compound Nametert-butyl-(3,5-dimethylphenyl)azanide
PubChem CID101349910
Molecular FormulaC12H18N-
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Nametert-butyl-(3,5-dimethylphenyl)azanide
SMILESCc1cc(C)cc([N-]C(C)(C)C)c1
InChIInChI=1S/C12H18N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8H,1-5H3/q-1
InChIKeyRZWOXIINIVXDMP-UHFFFAOYSA-N
XLogP4.11
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,5-dimethylphenyl)azanide?
The IUPAC name of tert-butyl-(3,5-dimethylphenyl)azanide (CID 101349910) is tert-butyl-(3,5-dimethylphenyl)azanide.
What is the SMILES notation for tert-butyl-(3,5-dimethylphenyl)azanide?
The canonical SMILES for tert-butyl-(3,5-dimethylphenyl)azanide is Cc1cc(C)cc([N-]C(C)(C)C)c1.
What is the InChIKey of tert-butyl-(3,5-dimethylphenyl)azanide?
The InChIKey is RZWOXIINIVXDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8H,1-5H3/q-1.
What are the key properties of tert-butyl-(3,5-dimethylphenyl)azanide?
tert-butyl-(3,5-dimethylphenyl)azanide has a molecular weight of 176.28 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,5-dimethylphenyl)azanide is sourced from PubChem (CID 101349910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).