(2,3,4,5,6-pentamethylphenyl)azanide

C11H16N- — CID 139249930

IUPAC(2,3,4,5,6-pentamethylphenyl)azanide
SMILESCc1c(C)c(C)c([NH-])c(C)c1C
InChIInChI=1S/C11H16N/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3/q-1
InChIKeyLGGDBFZCNRGRFR-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.91
Rot. Bonds

About (2,3,4,5,6-pentamethylphenyl)azanide

(2,3,4,5,6-pentamethylphenyl)azanide (PubChem CID 139249930) has the molecular formula C11H16N- and a molecular weight of 162.26 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)azanide.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)azanide
PubChem CID139249930
Molecular FormulaC11H16N-
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name(2,3,4,5,6-pentamethylphenyl)azanide
SMILESCc1c(C)c(C)c([NH-])c(C)c1C
InChIInChI=1S/C11H16N/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3/q-1
InChIKeyLGGDBFZCNRGRFR-UHFFFAOYSA-N
XLogP3.91
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)azanide?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)azanide (CID 139249930) is (2,3,4,5,6-pentamethylphenyl)azanide.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)azanide?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)azanide is Cc1c(C)c(C)c([NH-])c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)azanide?
The InChIKey is LGGDBFZCNRGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3/q-1.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)azanide?
(2,3,4,5,6-pentamethylphenyl)azanide has a molecular weight of 162.26 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)azanide is sourced from PubChem (CID 139249930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).