(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C16H20N2 — CID 19879752

IUPAC(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2
InChIInChI=1S/C16H20N2/c1-10-15-8-12-11-4-3-7-17-9-16(10,2)13(11)5-6-14(12)18-15/h3-4,9-10,15,18H,5-8H2,1-2H3/b4-3-,17-9-
InChIKeyLOMIZXFNDSISCU-VYHZRZITSA-N
MW240.35 g/mol
LogP2.99
Rot. Bonds

About (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879752) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.

Molecular Properties

Compound Name(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879752
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2
InChIInChI=1S/C16H20N2/c1-10-15-8-12-11-4-3-7-17-9-16(10,2)13(11)5-6-14(12)18-15/h3-4,9-10,15,18H,5-8H2,1-2H3/b4-3-,17-9-
InChIKeyLOMIZXFNDSISCU-VYHZRZITSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The IUPAC name of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879752) is (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.
What is the SMILES notation for (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The canonical SMILES for (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2.
What is the InChIKey of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is LOMIZXFNDSISCU-VYHZRZITSA-N. The full InChI is InChI=1S/C16H20N2/c1-10-15-8-12-11-4-3-7-17-9-16(10,2)13(11)5-6-14(12)18-15/h3-4,9-10,15,18H,5-8H2,1-2H3/b4-3-,17-9-.
What are the key properties of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 240.35 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).