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

C23H29N — CID 70633368

IUPAC15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene
SMILESCCC1CC2=C3C(=C4C=CCCC41)CN1CC=CC=C1C3CCC2
InChIInChI=1S/C23H29N/c1-2-16-14-17-8-7-11-20-22-12-5-6-13-24(22)15-21(23(17)20)19-10-4-3-9-18(16)19/h4-6,10,12,16,18,20H,2-3,7-9,11,13-15H2,1H3
InChIKeyGMMIIZCYTUXCJH-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.55
Rot. Bonds1

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

15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene (PubChem CID 70633368) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene.

Molecular Properties

Compound Name15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene
PubChem CID70633368
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene
SMILESCCC1CC2=C3C(=C4C=CCCC41)CN1CC=CC=C1C3CCC2
InChIInChI=1S/C23H29N/c1-2-16-14-17-8-7-11-20-22-12-5-6-13-24(22)15-21(23(17)20)19-10-4-3-9-18(16)19/h4-6,10,12,16,18,20H,2-3,7-9,11,13-15H2,1H3
InChIKeyGMMIIZCYTUXCJH-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of 15-ethyl-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-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene (CID 70633368) is 15-ethyl-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-ethyl-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-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene is CCC1CC2=C3C(=C4C=CCCC41)CN1CC=CC=C1C3CCC2.
What is the InChIKey of 15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene?
The InChIKey is GMMIIZCYTUXCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-2-16-14-17-8-7-11-20-22-12-5-6-13-24(22)15-21(23(17)20)19-10-4-3-9-18(16)19/h4-6,10,12,16,18,20H,2-3,7-9,11,13-15H2,1H3.
What are the key properties of 15-ethyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaene?
15-ethyl-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 319.49 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-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 70633368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).