(5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C17H22N2 — CID 19879779

IUPAC(5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C\N/C=C\C41C)N2C
InChIInChI=1S/C17H22N2/c1-11-16-10-13-12-6-8-18-9-7-17(11,2)14(12)4-5-15(13)19(16)3/h6-9,11,16,18H,4-5,10H2,1-3H3/b8-6-,9-7-
InChIKeyDHLVAPYTZDASIG-VRHVFUOLSA-N
MW254.38 g/mol
LogP3.32
Rot. Bonds

About (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

(5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879779) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.

Molecular Properties

Compound Name(5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879779
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C\N/C=C\C41C)N2C
InChIInChI=1S/C17H22N2/c1-11-16-10-13-12-6-8-18-9-7-17(11,2)14(12)4-5-15(13)19(16)3/h6-9,11,16,18H,4-5,10H2,1-3H3/b8-6-,9-7-
InChIKeyDHLVAPYTZDASIG-VRHVFUOLSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The IUPAC name of (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879779) is (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.
What is the SMILES notation for (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The canonical SMILES for (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CC1C2CC3=C(CCC4=C3/C=C\N/C=C\C41C)N2C.
What is the InChIKey of (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is DHLVAPYTZDASIG-VRHVFUOLSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-16-10-13-12-6-8-18-9-7-17(11,2)14(12)4-5-15(13)19(16)3/h6-9,11,16,18H,4-5,10H2,1-3H3/b8-6-,9-7-.
What are the key properties of (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 254.38 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-10,15,16-trimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).