CID 12957621

C9H15LiN2 — CID 12957621

IUPAC—
SMILES[CH-]1CCCCN2CCCN=C12.[Li+]
InChIInChI=1S/C9H15N2.Li/c1-2-5-9-10-6-4-8-11(9)7-3-1;/h5H,1-4,6-8H2;/q-1;+1
InChIKeyQZSHOGWHDVXVNV-UHFFFAOYSA-N
MW158.17 g/mol
LogP-1.52
Rot. Bonds

About CID 12957621

CID 12957621 (PubChem CID 12957621) has the molecular formula C9H15LiN2 and a molecular weight of 158.17 g/mol.

Molecular Properties

Compound NameCID 12957621
PubChem CID12957621
Molecular FormulaC9H15LiN2
Molecular Weight158.17 g/mol
Exact Mass158.14
IUPAC Name—
SMILES[CH-]1CCCCN2CCCN=C12.[Li+]
InChIInChI=1S/C9H15N2.Li/c1-2-5-9-10-6-4-8-11(9)7-3-1;/h5H,1-4,6-8H2;/q-1;+1
InChIKeyQZSHOGWHDVXVNV-UHFFFAOYSA-N
XLogP-1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 12957621 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 12957621?
The IUPAC name of CID 12957621 (CID 12957621) is not available.
What is the SMILES notation for CID 12957621?
The canonical SMILES for CID 12957621 is [CH-]1CCCCN2CCCN=C12.[Li+].
What is the InChIKey of CID 12957621?
The InChIKey is QZSHOGWHDVXVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2.Li/c1-2-5-9-10-6-4-8-11(9)7-3-1;/h5H,1-4,6-8H2;/q-1;+1.
What are the key properties of CID 12957621?
CID 12957621 has a molecular weight of 158.17 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12957621 is sourced from PubChem (CID 12957621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).