15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene

C24H31N — CID 70633457

IUPAC15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene
SMILESCCCC1CC2=C3C(=C4C=CCCC41)CN1CC=CC=C1C3CCC2
InChIInChI=1S/C24H31N/c1-2-8-17-15-18-9-7-12-21-23-13-5-6-14-25(23)16-22(24(18)21)20-11-4-3-10-19(17)20/h4-6,11,13,17,19,21H,2-3,7-10,12,14-16H2,1H3
InChIKeyHAZLZHBIRLLYOO-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.94
Rot. Bonds2

About 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene

15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene (PubChem CID 70633457) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene.

Molecular Properties

Compound Name15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene
PubChem CID70633457
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene
SMILESCCCC1CC2=C3C(=C4C=CCCC41)CN1CC=CC=C1C3CCC2
InChIInChI=1S/C24H31N/c1-2-8-17-15-18-9-7-12-21-23-13-5-6-14-25(23)16-22(24(18)21)20-11-4-3-10-19(17)20/h4-6,11,13,17,19,21H,2-3,7-10,12,14-16H2,1H3
InChIKeyHAZLZHBIRLLYOO-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene?
The IUPAC name of 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene (CID 70633457) is 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene.
What is the SMILES notation for 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene?
The canonical SMILES for 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene is CCCC1CC2=C3C(=C4C=CCCC41)CN1CC=CC=C1C3CCC2.
What is the InChIKey of 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene?
The InChIKey is HAZLZHBIRLLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-2-8-17-15-18-9-7-12-21-23-13-5-6-14-25(23)16-22(24(18)21)20-11-4-3-10-19(17)20/h4-6,11,13,17,19,21H,2-3,7-10,12,14-16H2,1H3.
What are the key properties of 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene?
15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene has a molecular weight of 333.52 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene is sourced from PubChem (CID 70633457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).