2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene

C23H38N6 — CID 176539137

IUPAC2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene
SMILESCC1=C2/C=N\CCC/N=C/C(=C(C)NCCCCC/N=C\2C)/C(C)=N/CCCN1
InChIInChI=1S/C23H38N6/c1-18-22-16-24-10-8-11-25-17-23(19(2)27-13-7-5-6-12-26-18)21(4)29-15-9-14-28-20(22)3/h16-17,26,29H,5-15H2,1-4H3/b22-18?,23-21?,24-16+,25-17-,27-19-,28-20+
InChIKeyHDYWFSDUCDZOBX-NZGKGWJPSA-N
MW398.60 g/mol
LogP3.75
Rot. Bonds

About 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene

2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene (PubChem CID 176539137) has the molecular formula C23H38N6 and a molecular weight of 398.60 g/mol. Its IUPAC name is 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene.

Molecular Properties

Compound Name2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene
PubChem CID176539137
Molecular FormulaC23H38N6
Molecular Weight398.60 g/mol
Exact Mass398.32
IUPAC Name2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene
SMILESCC1=C2/C=N\CCC/N=C/C(=C(C)NCCCCC/N=C\2C)/C(C)=N/CCCN1
InChIInChI=1S/C23H38N6/c1-18-22-16-24-10-8-11-25-17-23(19(2)27-13-7-5-6-12-26-18)21(4)29-15-9-14-28-20(22)3/h16-17,26,29H,5-15H2,1-4H3/b22-18?,23-21?,24-16+,25-17-,27-19-,28-20+
InChIKeyHDYWFSDUCDZOBX-NZGKGWJPSA-N
XLogP3.75
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene with MolForge

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Related Compounds

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 57226205
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
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
N'-[(3E)-5-methyl-3-(methyliminomethyl)-4-(pentan-2-ylideneamino)hexa-1,3-dien-2-yl]propane-1,3-diamine
CID 134386465
(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
3-[(6E)-7-(3-iminobutan-2-ylideneamino)-2,6-dimethylocta-2,6-dien-3-yl]imino-N-methylbutan-2-amine
CID 163956979
(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
N,18,24-trimethyl-9-methylimino-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,10(24),11,16,18-pentaen-2-amine
CID 176518358
(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

Frequently Asked Questions

What is the IUPAC name of 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene?
The IUPAC name of 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) is 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene.
What is the SMILES notation for 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene?
The canonical SMILES for 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene is CC1=C2/C=N\CCC/N=C/C(=C(C)NCCCCC/N=C\2C)/C(C)=N/CCCN1.
What is the InChIKey of 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene?
The InChIKey is HDYWFSDUCDZOBX-NZGKGWJPSA-N. The full InChI is InChI=1S/C23H38N6/c1-18-22-16-24-10-8-11-25-17-23(19(2)27-13-7-5-6-12-26-18)21(4)29-15-9-14-28-20(22)3/h16-17,26,29H,5-15H2,1-4H3/b22-18?,23-21?,24-16+,25-17-,27-19-,28-20+.
What are the key properties of 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene?
2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene has a molecular weight of 398.60 g/mol, XLogP of 3.75, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,19,25-tetramethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1(19),2,10,12,17,24-hexaene is sourced from PubChem (CID 176539137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).