CID 176991135

C19H25N3Si — CID 176991135

IUPAC—
SMILESC[Si][C@@](N)(c1ccccc1)[C@@H]1CNc2cccnc2C(C)[C@@H]1C
InChIInChI=1S/C19H25N3Si/c1-13-14(2)18-17(10-7-11-21-18)22-12-16(13)19(20,23-3)15-8-5-4-6-9-15/h4-11,13-14,16,22H,12,20H2,1-3H3/t13-,14?,16+,19-/m0/s1
InChIKeySHLBHEVKPHITIZ-ZVLZNRPGSA-N
MW323.52 g/mol
LogP3.43
Rot. Bonds3

About CID 176991135

CID 176991135 (PubChem CID 176991135) has the molecular formula C19H25N3Si and a molecular weight of 323.52 g/mol.

Molecular Properties

Compound NameCID 176991135
PubChem CID176991135
Molecular FormulaC19H25N3Si
Molecular Weight323.52 g/mol
Exact Mass323.18
IUPAC Name—
SMILESC[Si][C@@](N)(c1ccccc1)[C@@H]1CNc2cccnc2C(C)[C@@H]1C
InChIInChI=1S/C19H25N3Si/c1-13-14(2)18-17(10-7-11-21-18)22-12-16(13)19(20,23-3)15-8-5-4-6-9-15/h4-11,13-14,16,22H,12,20H2,1-3H3/t13-,14?,16+,19-/m0/s1
InChIKeySHLBHEVKPHITIZ-ZVLZNRPGSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176991135?
The IUPAC name of CID 176991135 (CID 176991135) is not available.
What is the SMILES notation for CID 176991135?
The canonical SMILES for CID 176991135 is C[Si][C@@](N)(c1ccccc1)[C@@H]1CNc2cccnc2C(C)[C@@H]1C.
What is the InChIKey of CID 176991135?
The InChIKey is SHLBHEVKPHITIZ-ZVLZNRPGSA-N. The full InChI is InChI=1S/C19H25N3Si/c1-13-14(2)18-17(10-7-11-21-18)22-12-16(13)19(20,23-3)15-8-5-4-6-9-15/h4-11,13-14,16,22H,12,20H2,1-3H3/t13-,14?,16+,19-/m0/s1.
What are the key properties of CID 176991135?
CID 176991135 has a molecular weight of 323.52 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176991135 is sourced from PubChem (CID 176991135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).