13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene

C23H32N2 — CID 144805601

IUPAC13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene
SMILESCCCCc1ccc2c(c1)N1C=CN(C)C1C1(CC)C(C)=CC21CC
InChIInChI=1S/C23H32N2/c1-6-9-10-18-11-12-19-20(15-18)25-14-13-24(5)21(25)23(8-3)17(4)16-22(19,23)7-2/h11-16,21H,6-10H2,1-5H3
InChIKeySYDPMCAEMDQICB-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.60
Rot. Bonds5

About 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene

13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene (PubChem CID 144805601) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene.

Molecular Properties

Compound Name13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene
PubChem CID144805601
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene
SMILESCCCCc1ccc2c(c1)N1C=CN(C)C1C1(CC)C(C)=CC21CC
InChIInChI=1S/C23H32N2/c1-6-9-10-18-11-12-19-20(15-18)25-14-13-24(5)21(25)23(8-3)17(4)16-22(19,23)7-2/h11-16,21H,6-10H2,1-5H3
InChIKeySYDPMCAEMDQICB-UHFFFAOYSA-N
XLogP5.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene?
The IUPAC name of 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene (CID 144805601) is 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene.
What is the SMILES notation for 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene?
The canonical SMILES for 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene is CCCCc1ccc2c(c1)N1C=CN(C)C1C1(CC)C(C)=CC21CC.
What is the InChIKey of 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene?
The InChIKey is SYDPMCAEMDQICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-6-9-10-18-11-12-19-20(15-18)25-14-13-24(5)21(25)23(8-3)17(4)16-22(19,23)7-2/h11-16,21H,6-10H2,1-5H3.
What are the key properties of 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene?
13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene has a molecular weight of 336.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene is sourced from PubChem (CID 144805601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).