2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene

C25H42N6 — CID 57248922

IUPAC2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene
SMILESCC1=C2/C=N\CCC/N=C/C(=C(C)N(C)CCCCCN1C)/C(C)=N/CCC/N=C\2C
InChIInChI=1S/C25H42N6/c1-20-24-18-26-12-10-13-27-19-25(21(2)29-15-11-14-28-20)23(4)31(6)17-9-7-8-16-30(5)22(24)3/h18-19H,7-17H2,1-6H3/b24-22?,25-23?,26-18-,27-19+,28-20-,29-21+
InChIKeyNFOVTUDEKIFJCA-KPMRHZNISA-N
MW426.65 g/mol
LogP4.44
Rot. Bonds

About 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene

2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene (PubChem CID 57248922) has the molecular formula C25H42N6 and a molecular weight of 426.65 g/mol. Its IUPAC name is 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene.

Molecular Properties

Compound Name2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene
PubChem CID57248922
Molecular FormulaC25H42N6
Molecular Weight426.65 g/mol
Exact Mass426.35
IUPAC Name2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene
SMILESCC1=C2/C=N\CCC/N=C/C(=C(C)N(C)CCCCCN1C)/C(C)=N/CCC/N=C\2C
InChIInChI=1S/C25H42N6/c1-20-24-18-26-12-10-13-27-19-25(21(2)29-15-11-14-28-20)23(4)31(6)17-9-7-8-16-30(5)22(24)3/h18-19H,7-17H2,1-6H3/b24-22?,25-23?,26-18-,27-19+,28-20-,29-21+
InChIKeyNFOVTUDEKIFJCA-KPMRHZNISA-N
XLogP4.44
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene with MolForge

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Related Compounds

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CID 57226205
2,3,10,11,13,19-Hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
CID 57260839
1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine
CID 123704773
(9Z)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
CID 145807026
(10Z)-2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene
CID 145807028
(11Z)-2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
CID 145807029
2-N,2-N,9-N,9-N,11,17-hexamethyl-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene-2,9-diamine
CID 153994097
2-N,2-N,10-N,10-N,12,18-hexamethyl-13,17,20,24-tetrazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene-2,10-diamine
CID 154184288
(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
CID 173396996
(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176519327
2,11,20,26-Tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176519328
2,10,19,25-Tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene
CID 176539137

Frequently Asked Questions

What is the IUPAC name of 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene?
The IUPAC name of 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene (CID 57248922) is 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene.
What is the SMILES notation for 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene?
The canonical SMILES for 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene is CC1=C2/C=N\CCC/N=C/C(=C(C)N(C)CCCCCN1C)/C(C)=N/CCC/N=C\2C.
What is the InChIKey of 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene?
The InChIKey is NFOVTUDEKIFJCA-KPMRHZNISA-N. The full InChI is InChI=1S/C25H42N6/c1-20-24-18-26-12-10-13-27-19-25(21(2)29-15-11-14-28-20)23(4)31(6)17-9-7-8-16-30(5)22(24)3/h18-19H,7-17H2,1-6H3/b24-22?,25-23?,26-18-,27-19+,28-20-,29-21+.
What are the key properties of 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene?
2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene has a molecular weight of 426.65 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene is sourced from PubChem (CID 57248922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).