15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane

C22H34N2 — CID 12860336

IUPAC15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
SMILESCN1C2(CCCCC2)CN(Cc2ccccc2)CC12CCCCC2
InChIInChI=1S/C22H34N2/c1-23-21(13-7-3-8-14-21)18-24(17-20-11-5-2-6-12-20)19-22(23)15-9-4-10-16-22/h2,5-6,11-12H,3-4,7-10,13-19H2,1H3
InChIKeyOSIWDMOHHNLNMK-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.84
Rot. Bonds2

About 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane

15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane (PubChem CID 12860336) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane.

Molecular Properties

Compound Name15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
PubChem CID12860336
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
SMILESCN1C2(CCCCC2)CN(Cc2ccccc2)CC12CCCCC2
InChIInChI=1S/C22H34N2/c1-23-21(13-7-3-8-14-21)18-24(17-20-11-5-2-6-12-20)19-22(23)15-9-4-10-16-22/h2,5-6,11-12H,3-4,7-10,13-19H2,1H3
InChIKeyOSIWDMOHHNLNMK-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane?
The IUPAC name of 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane (CID 12860336) is 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane.
What is the SMILES notation for 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane?
The canonical SMILES for 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane is CN1C2(CCCCC2)CN(Cc2ccccc2)CC12CCCCC2.
What is the InChIKey of 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane?
The InChIKey is OSIWDMOHHNLNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-23-21(13-7-3-8-14-21)18-24(17-20-11-5-2-6-12-20)19-22(23)15-9-4-10-16-22/h2,5-6,11-12H,3-4,7-10,13-19H2,1H3.
What are the key properties of 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane?
15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane has a molecular weight of 326.53 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane is sourced from PubChem (CID 12860336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).