CID 87335016

C7H17N2Si — CID 87335016

IUPAC—
SMILESCCNC(CC[Si])NCC
InChIInChI=1S/C7H17N2Si/c1-3-8-7(5-6-10)9-4-2/h7-9H,3-6H2,1-2H3
InChIKeyGLKMBCVQLXCRDV-UHFFFAOYSA-N
MW157.31 g/mol
LogP0.51
Rot. Bonds6

About CID 87335016

CID 87335016 (PubChem CID 87335016) has the molecular formula C7H17N2Si and a molecular weight of 157.31 g/mol.

Molecular Properties

Compound NameCID 87335016
PubChem CID87335016
Molecular FormulaC7H17N2Si
Molecular Weight157.31 g/mol
Exact Mass157.12
IUPAC Name—
SMILESCCNC(CC[Si])NCC
InChIInChI=1S/C7H17N2Si/c1-3-8-7(5-6-10)9-4-2/h7-9H,3-6H2,1-2H3
InChIKeyGLKMBCVQLXCRDV-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 87335016 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 87335016?
The IUPAC name of CID 87335016 (CID 87335016) is not available.
What is the SMILES notation for CID 87335016?
The canonical SMILES for CID 87335016 is CCNC(CC[Si])NCC.
What is the InChIKey of CID 87335016?
The InChIKey is GLKMBCVQLXCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2Si/c1-3-8-7(5-6-10)9-4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of CID 87335016?
CID 87335016 has a molecular weight of 157.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87335016 is sourced from PubChem (CID 87335016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).