CID 46855759

C22H24N3 — CID 46855759

IUPAC—
SMILESCc1ccc(-c2cc([C]3[CH][CH][CH][CH]3)nc(N3CCCCC3)n2)cc1C
InChIInChI=1S/C22H24N3/c1-16-10-11-19(14-17(16)2)21-15-20(18-8-4-5-9-18)23-22(24-21)25-12-6-3-7-13-25/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3
InChIKeyJHZLJDGTSJDUFX-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.50
Rot. Bonds3

About CID 46855759

CID 46855759 (PubChem CID 46855759) has the molecular formula C22H24N3 and a molecular weight of 330.46 g/mol.

Molecular Properties

Compound NameCID 46855759
PubChem CID46855759
Molecular FormulaC22H24N3
Molecular Weight330.46 g/mol
Exact Mass330.20
IUPAC Name—
SMILESCc1ccc(-c2cc([C]3[CH][CH][CH][CH]3)nc(N3CCCCC3)n2)cc1C
InChIInChI=1S/C22H24N3/c1-16-10-11-19(14-17(16)2)21-15-20(18-8-4-5-9-18)23-22(24-21)25-12-6-3-7-13-25/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3
InChIKeyJHZLJDGTSJDUFX-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 46855759?
The IUPAC name of CID 46855759 (CID 46855759) is not available.
What is the SMILES notation for CID 46855759?
The canonical SMILES for CID 46855759 is Cc1ccc(-c2cc([C]3[CH][CH][CH][CH]3)nc(N3CCCCC3)n2)cc1C.
What is the InChIKey of CID 46855759?
The InChIKey is JHZLJDGTSJDUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N3/c1-16-10-11-19(14-17(16)2)21-15-20(18-8-4-5-9-18)23-22(24-21)25-12-6-3-7-13-25/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3.
What are the key properties of CID 46855759?
CID 46855759 has a molecular weight of 330.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46855759 is sourced from PubChem (CID 46855759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).