(15N)aniline

C6H7N — CID 11137093

IUPAC(15N)aniline
SMILES[15NH2]c1ccccc1
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i7+1
InChIKeyPAYRUJLWNCNPSJ-CDYZYAPPSA-N
MW94.12 g/mol
LogP1.27
Rot. Bonds

About (15N)aniline

(15N)aniline (PubChem CID 11137093) has the molecular formula C6H7N and a molecular weight of 94.12 g/mol. Its IUPAC name is (15N)aniline.

Molecular Properties

Compound Name(15N)aniline
PubChem CID11137093
Molecular FormulaC6H7N
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name(15N)aniline
SMILES[15NH2]c1ccccc1
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i7+1
InChIKeyPAYRUJLWNCNPSJ-CDYZYAPPSA-N
XLogP1.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.27
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 (15N)aniline?
The IUPAC name of (15N)aniline (CID 11137093) is (15N)aniline.
What is the SMILES notation for (15N)aniline?
The canonical SMILES for (15N)aniline is [15NH2]c1ccccc1.
What is the InChIKey of (15N)aniline?
The InChIKey is PAYRUJLWNCNPSJ-CDYZYAPPSA-N. The full InChI is InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i7+1.
What are the key properties of (15N)aniline?
(15N)aniline has a molecular weight of 94.12 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15N)aniline is sourced from PubChem (CID 11137093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).