CID 177394292

C17H20N2+ — CID 177394292

IUPAC—
SMILESCCCCN1c2ccccc2[N+](C)c2ccccc21
InChIInChI=1S/C17H20N2/c1-3-4-13-19-16-11-7-5-9-14(16)18(2)15-10-6-8-12-17(15)19/h5-12H,3-4,13H2,1-2H3/q+1
InChIKeyWWSGWANWLBMJHX-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.67
Rot. Bonds3

About CID 177394292

CID 177394292 (PubChem CID 177394292) has the molecular formula C17H20N2+ and a molecular weight of 252.36 g/mol.

Molecular Properties

Compound NameCID 177394292
PubChem CID177394292
Molecular FormulaC17H20N2+
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name—
SMILESCCCCN1c2ccccc2[N+](C)c2ccccc21
InChIInChI=1S/C17H20N2/c1-3-4-13-19-16-11-7-5-9-14(16)18(2)15-10-6-8-12-17(15)19/h5-12H,3-4,13H2,1-2H3/q+1
InChIKeyWWSGWANWLBMJHX-UHFFFAOYSA-N
XLogP4.67
TPSA9.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 177394292 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 177394292?
The IUPAC name of CID 177394292 (CID 177394292) is not available.
What is the SMILES notation for CID 177394292?
The canonical SMILES for CID 177394292 is CCCCN1c2ccccc2[N+](C)c2ccccc21.
What is the InChIKey of CID 177394292?
The InChIKey is WWSGWANWLBMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-4-13-19-16-11-7-5-9-14(16)18(2)15-10-6-8-12-17(15)19/h5-12H,3-4,13H2,1-2H3/q+1.
What are the key properties of CID 177394292?
CID 177394292 has a molecular weight of 252.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177394292 is sourced from PubChem (CID 177394292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).