5,17-dimethyl-6-propyl-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

C27H24N2 — CID 58411420

IUPAC5,17-dimethyl-6-propyl-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(ccn6C)cc5ccc4c3cc2n1C
InChIInChI=1S/C27H24N2/c1-4-5-21-14-20-13-18-7-9-22-23(25(18)16-27(20)29(21)3)8-6-17-12-19-10-11-28(2)26(19)15-24(17)22/h6-16H,4-5H2,1-3H3
InChIKeyFRIDVIRGANSYCP-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.08
Rot. Bonds2

About 5,17-dimethyl-6-propyl-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-propyl-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 58411420) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5,17-dimethyl-6-propyl-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-propyl-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 CID58411420
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name5,17-dimethyl-6-propyl-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(ccn6C)cc5ccc4c3cc2n1C
InChIInChI=1S/C27H24N2/c1-4-5-21-14-20-13-18-7-9-22-23(25(18)16-27(20)29(21)3)8-6-17-12-19-10-11-28(2)26(19)15-24(17)22/h6-16H,4-5H2,1-3H3
InChIKeyFRIDVIRGANSYCP-UHFFFAOYSA-N
XLogP7.08
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.08
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-propyl-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-propyl-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-propyl-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 58411420) is 5,17-dimethyl-6-propyl-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-propyl-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-propyl-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(ccn6C)cc5ccc4c3cc2n1C.
What is the InChIKey of 5,17-dimethyl-6-propyl-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 FRIDVIRGANSYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-4-5-21-14-20-13-18-7-9-22-23(25(18)16-27(20)29(21)3)8-6-17-12-19-10-11-28(2)26(19)15-24(17)22/h6-16H,4-5H2,1-3H3.
What are the key properties of 5,17-dimethyl-6-propyl-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-propyl-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 376.50 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethyl-6-propyl-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 58411420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).