2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene

C22H30N2 — CID 54418192

IUPAC2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene
SMILESC1=CCC2=C3C(=C4CCNCC4N3C=C1)C(C1CCCCC1)CC2
InChIInChI=1S/C22H30N2/c1-3-7-16(8-4-1)18-11-10-17-9-5-2-6-14-24-20-15-23-13-12-19(20)21(18)22(17)24/h2,5-6,14,16,18,20,23H,1,3-4,7-13,15H2
InChIKeyVYXVXQVUALFZDV-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.68
Rot. Bonds1

About 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene

2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene (PubChem CID 54418192) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene.

Molecular Properties

Compound Name2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene
PubChem CID54418192
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene
SMILESC1=CCC2=C3C(=C4CCNCC4N3C=C1)C(C1CCCCC1)CC2
InChIInChI=1S/C22H30N2/c1-3-7-16(8-4-1)18-11-10-17-9-5-2-6-14-24-20-15-23-13-12-19(20)21(18)22(17)24/h2,5-6,14,16,18,20,23H,1,3-4,7-13,15H2
InChIKeyVYXVXQVUALFZDV-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene?
The IUPAC name of 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene (CID 54418192) is 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene.
What is the SMILES notation for 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene?
The canonical SMILES for 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene is C1=CCC2=C3C(=C4CCNCC4N3C=C1)C(C1CCCCC1)CC2.
What is the InChIKey of 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene?
The InChIKey is VYXVXQVUALFZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-7-16(8-4-1)18-11-10-17-9-5-2-6-14-24-20-15-23-13-12-19(20)21(18)22(17)24/h2,5-6,14,16,18,20,23H,1,3-4,7-13,15H2.
What are the key properties of 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene?
2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene has a molecular weight of 322.50 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene is sourced from PubChem (CID 54418192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).