CID 71334617

C8H11N+ — CID 71334617

IUPAC—
SMILESCc1cccc(C)c1[NH2+]
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/q+1
InChIKeyTWEBYJDWYSJZMP-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.96
Rot. Bonds

About CID 71334617

CID 71334617 (PubChem CID 71334617) has the molecular formula C8H11N+ and a molecular weight of 121.18 g/mol.

Molecular Properties

Compound NameCID 71334617
PubChem CID71334617
Molecular FormulaC8H11N+
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name—
SMILESCc1cccc(C)c1[NH2+]
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/q+1
InChIKeyTWEBYJDWYSJZMP-UHFFFAOYSA-N
XLogP0.96
TPSA25.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 71334617?
The IUPAC name of CID 71334617 (CID 71334617) is not available.
What is the SMILES notation for CID 71334617?
The canonical SMILES for CID 71334617 is Cc1cccc(C)c1[NH2+].
What is the InChIKey of CID 71334617?
The InChIKey is TWEBYJDWYSJZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/q+1.
What are the key properties of CID 71334617?
CID 71334617 has a molecular weight of 121.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71334617 is sourced from PubChem (CID 71334617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).