25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene

C24H44N2 — CID 173328110

IUPAC25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene
SMILESCC1N2CCCCCCCCCCN1C1=C2CCCCCCCCCC1
InChIInChI=1S/C24H44N2/c1-22-25-20-16-12-8-4-5-9-13-17-21-26(22)24-19-15-11-7-3-2-6-10-14-18-23(24)25/h22H,2-21H2,1H3
InChIKeyZENNRHSVBKOVSV-UHFFFAOYSA-N
MW360.63 g/mol
LogP7.21
Rot. Bonds

About 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene

25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene (PubChem CID 173328110) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene.

Molecular Properties

Compound Name25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene
PubChem CID173328110
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene
SMILESCC1N2CCCCCCCCCCN1C1=C2CCCCCCCCCC1
InChIInChI=1S/C24H44N2/c1-22-25-20-16-12-8-4-5-9-13-17-21-26(22)24-19-15-11-7-3-2-6-10-14-18-23(24)25/h22H,2-21H2,1H3
InChIKeyZENNRHSVBKOVSV-UHFFFAOYSA-N
XLogP7.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene?
The IUPAC name of 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene (CID 173328110) is 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene.
What is the SMILES notation for 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene?
The canonical SMILES for 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene is CC1N2CCCCCCCCCCN1C1=C2CCCCCCCCCC1.
What is the InChIKey of 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene?
The InChIKey is ZENNRHSVBKOVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c1-22-25-20-16-12-8-4-5-9-13-17-21-26(22)24-19-15-11-7-3-2-6-10-14-18-23(24)25/h22H,2-21H2,1H3.
What are the key properties of 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene?
25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene has a molecular weight of 360.63 g/mol, XLogP of 7.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25-methyl-1,14-diazatricyclo[12.10.1.02,13]pentacos-2(13)-ene is sourced from PubChem (CID 173328110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).