CID 177479772

C17H22N2+ — CID 177479772

IUPAC—
SMILESCCCCN1c2ccccc2[N+](C)C2C=CC=CC21
InChIInChI=1S/C17H22N2/c1-3-4-13-19-16-11-7-5-9-14(16)18(2)15-10-6-8-12-17(15)19/h5-12,14,16H,3-4,13H2,1-2H3/q+1
InChIKeyAGSGLKKDBMIVRC-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.57
Rot. Bonds3

About CID 177479772

CID 177479772 (PubChem CID 177479772) has the molecular formula C17H22N2+ and a molecular weight of 254.38 g/mol.

Molecular Properties

Compound NameCID 177479772
PubChem CID177479772
Molecular FormulaC17H22N2+
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name—
SMILESCCCCN1c2ccccc2[N+](C)C2C=CC=CC21
InChIInChI=1S/C17H22N2/c1-3-4-13-19-16-11-7-5-9-14(16)18(2)15-10-6-8-12-17(15)19/h5-12,14,16H,3-4,13H2,1-2H3/q+1
InChIKeyAGSGLKKDBMIVRC-UHFFFAOYSA-N
XLogP3.57
TPSA9.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 177479772 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 177479772?
The IUPAC name of CID 177479772 (CID 177479772) is not available.
What is the SMILES notation for CID 177479772?
The canonical SMILES for CID 177479772 is CCCCN1c2ccccc2[N+](C)C2C=CC=CC21.
What is the InChIKey of CID 177479772?
The InChIKey is AGSGLKKDBMIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-4-13-19-16-11-7-5-9-14(16)18(2)15-10-6-8-12-17(15)19/h5-12,14,16H,3-4,13H2,1-2H3/q+1.
What are the key properties of CID 177479772?
CID 177479772 has a molecular weight of 254.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177479772 is sourced from PubChem (CID 177479772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).