CID 164706126

C21H23N — CID 164706126

IUPAC—
SMILESCc1ccccc1C12[C]N(c3ccccc3)C(C)(CC1)CC2
InChIInChI=1S/C21H23N/c1-17-8-6-7-11-19(17)21-14-12-20(2,13-15-21)22(16-21)18-9-4-3-5-10-18/h3-11H,12-15H2,1-2H3
InChIKeyJTGRHXDGMCEHFS-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.12
Rot. Bonds2

About CID 164706126

CID 164706126 (PubChem CID 164706126) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol.

Molecular Properties

Compound NameCID 164706126
PubChem CID164706126
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name—
SMILESCc1ccccc1C12[C]N(c3ccccc3)C(C)(CC1)CC2
InChIInChI=1S/C21H23N/c1-17-8-6-7-11-19(17)21-14-12-20(2,13-15-21)22(16-21)18-9-4-3-5-10-18/h3-11H,12-15H2,1-2H3
InChIKeyJTGRHXDGMCEHFS-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 164706126?
The IUPAC name of CID 164706126 (CID 164706126) is not available.
What is the SMILES notation for CID 164706126?
The canonical SMILES for CID 164706126 is Cc1ccccc1C12[C]N(c3ccccc3)C(C)(CC1)CC2.
What is the InChIKey of CID 164706126?
The InChIKey is JTGRHXDGMCEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-17-8-6-7-11-19(17)21-14-12-20(2,13-15-21)22(16-21)18-9-4-3-5-10-18/h3-11H,12-15H2,1-2H3.
What are the key properties of CID 164706126?
CID 164706126 has a molecular weight of 289.42 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164706126 is sourced from PubChem (CID 164706126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).