17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene

C19H22N2 — CID 162970630

IUPAC17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene
SMILESCCC1CC2CC3c4[nH]c5ccccc5c4C=CN(C2)C13
InChIInChI=1S/C19H22N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-8,12-13,16,19-20H,2,9-11H2,1H3
InChIKeyBFUVNQAOMRUOJS-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.36
Rot. Bonds1

About 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene

17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene (PubChem CID 162970630) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene.

Molecular Properties

Compound Name17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene
PubChem CID162970630
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene
SMILESCCC1CC2CC3c4[nH]c5ccccc5c4C=CN(C2)C13
InChIInChI=1S/C19H22N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-8,12-13,16,19-20H,2,9-11H2,1H3
InChIKeyBFUVNQAOMRUOJS-UHFFFAOYSA-N
XLogP4.36
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene?
The IUPAC name of 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene (CID 162970630) is 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene.
What is the SMILES notation for 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene?
The canonical SMILES for 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene is CCC1CC2CC3c4[nH]c5ccccc5c4C=CN(C2)C13.
What is the InChIKey of 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene?
The InChIKey is BFUVNQAOMRUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-8,12-13,16,19-20H,2,9-11H2,1H3.
What are the key properties of 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene?
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene has a molecular weight of 278.40 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,11-pentaene is sourced from PubChem (CID 162970630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).