5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene

C28H23N — CID 56651845

IUPAC5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene
SMILESCCCc1cc2ccccc2c2c1c1ccccc1c1[nH]c3ccc(C)cc3c12
InChIInChI=1S/C28H23N/c1-3-8-19-16-18-9-4-5-10-20(18)26-25(19)21-11-6-7-12-22(21)28-27(26)23-15-17(2)13-14-24(23)29-28/h4-7,9-16,29H,3,8H2,1-2H3
InChIKeyBINVTRUCXISXRG-UHFFFAOYSA-N
MW373.50 g/mol
LogP8.04
Rot. Bonds2

About 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene

5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene (PubChem CID 56651845) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene
PubChem CID56651845
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene
SMILESCCCc1cc2ccccc2c2c1c1ccccc1c1[nH]c3ccc(C)cc3c12
InChIInChI=1S/C28H23N/c1-3-8-19-16-18-9-4-5-10-20(18)26-25(19)21-11-6-7-12-22(21)28-27(26)23-15-17(2)13-14-24(23)29-28/h4-7,9-16,29H,3,8H2,1-2H3
InChIKeyBINVTRUCXISXRG-UHFFFAOYSA-N
XLogP8.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene (CID 56651845) is 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene is CCCc1cc2ccccc2c2c1c1ccccc1c1[nH]c3ccc(C)cc3c12.
What is the InChIKey of 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene?
The InChIKey is BINVTRUCXISXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-3-8-19-16-18-9-4-5-10-20(18)26-25(19)21-11-6-7-12-22(21)28-27(26)23-15-17(2)13-14-24(23)29-28/h4-7,9-16,29H,3,8H2,1-2H3.
What are the key properties of 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene?
5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene has a molecular weight of 373.50 g/mol, XLogP of 8.04, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-18-propyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 56651845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).