8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene

C24H29N5 — CID 177147770

IUPAC8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene
SMILESCCCCN1Cc2cccc(n2)CN(C)Cc2cccc(n2)-c2cccc(n2)C1
InChIInChI=1S/C24H29N5/c1-3-4-14-29-17-21-9-5-8-19(25-21)15-28(2)16-20-10-6-12-23(26-20)24-13-7-11-22(18-29)27-24/h5-13H,3-4,14-18H2,1-2H3
InChIKeyCOVZNOOPMWXAEN-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.29
Rot. Bonds3

About 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene

8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene (PubChem CID 177147770) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene.

Molecular Properties

Compound Name8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene
PubChem CID177147770
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene
SMILESCCCCN1Cc2cccc(n2)CN(C)Cc2cccc(n2)-c2cccc(n2)C1
InChIInChI=1S/C24H29N5/c1-3-4-14-29-17-21-9-5-8-19(25-21)15-28(2)16-20-10-6-12-23(26-20)24-13-7-11-22(18-29)27-24/h5-13H,3-4,14-18H2,1-2H3
InChIKeyCOVZNOOPMWXAEN-UHFFFAOYSA-N
XLogP4.29
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene?
The IUPAC name of 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene (CID 177147770) is 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene.
What is the SMILES notation for 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene?
The canonical SMILES for 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene is CCCCN1Cc2cccc(n2)CN(C)Cc2cccc(n2)-c2cccc(n2)C1.
What is the InChIKey of 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene?
The InChIKey is COVZNOOPMWXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-3-4-14-29-17-21-9-5-8-19(25-21)15-28(2)16-20-10-6-12-23(26-20)24-13-7-11-22(18-29)27-24/h5-13H,3-4,14-18H2,1-2H3.
What are the key properties of 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene?
8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene has a molecular weight of 387.53 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-16-methyl-8,16,22,23,24-pentazatetracyclo[16.3.1.12,6.110,14]tetracosa-1(21),2,4,6(24),10,12,14(23),18(22),19-nonaene is sourced from PubChem (CID 177147770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).