5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

C30H30N2 — CID 58410967

IUPAC5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCCCc1cc2cc3ccc4c5cc6c(cc(CCC)n6C)cc5ccc4c3cc2n1C
InChIInChI=1S/C30H30N2/c1-5-7-23-15-21-13-19-9-11-26-25(27(19)17-29(21)31(23)3)12-10-20-14-22-16-24(8-6-2)32(4)30(22)18-28(20)26/h9-18H,5-8H2,1-4H3
InChIKeyWQOZXLSGJMLIOY-UHFFFAOYSA-N
MW418.58 g/mol
LogP8.03
Rot. Bonds4

About 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (PubChem CID 58410967) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.

Molecular Properties

Compound Name5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
PubChem CID58410967
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCCCc1cc2cc3ccc4c5cc6c(cc(CCC)n6C)cc5ccc4c3cc2n1C
InChIInChI=1S/C30H30N2/c1-5-7-23-15-21-13-19-9-11-26-25(27(19)17-29(21)31(23)3)12-10-20-14-22-16-24(8-6-2)32(4)30(22)18-28(20)26/h9-18H,5-8H2,1-4H3
InChIKeyWQOZXLSGJMLIOY-UHFFFAOYSA-N
XLogP8.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The IUPAC name of 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (CID 58410967) is 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.
What is the SMILES notation for 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The canonical SMILES for 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is CCCc1cc2cc3ccc4c5cc6c(cc(CCC)n6C)cc5ccc4c3cc2n1C.
What is the InChIKey of 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The InChIKey is WQOZXLSGJMLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-5-7-23-15-21-13-19-9-11-26-25(27(19)17-29(21)31(23)3)12-10-20-14-22-16-24(8-6-2)32(4)30(22)18-28(20)26/h9-18H,5-8H2,1-4H3.
What are the key properties of 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene has a molecular weight of 418.58 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is sourced from PubChem (CID 58410967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).