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

C17H24N2 — CID 19879762

IUPAC(5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
SMILESCC1C2CC3=C(CCC4=C3/C=C\CNCC41C)N2C
InChIInChI=1S/C17H24N2/c1-11-16-9-13-12-5-4-8-18-10-17(11,2)14(12)6-7-15(13)19(16)3/h4-5,11,16,18H,6-10H2,1-3H3/b5-4-
InChIKeyUBJRTQVYULNXKL-PLNGDYQASA-N
MW256.39 g/mol
LogP2.85
Rot. Bonds

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

(5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene (PubChem CID 19879762) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene.

Molecular Properties

Compound Name(5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
PubChem CID19879762
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
SMILESCC1C2CC3=C(CCC4=C3/C=C\CNCC41C)N2C
InChIInChI=1S/C17H24N2/c1-11-16-9-13-12-5-4-8-18-10-17(11,2)14(12)6-7-15(13)19(16)3/h4-5,11,16,18H,6-10H2,1-3H3/b5-4-
InChIKeyUBJRTQVYULNXKL-PLNGDYQASA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The IUPAC name of (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene (CID 19879762) is (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene.
What is the SMILES notation for (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The canonical SMILES for (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene is CC1C2CC3=C(CCC4=C3/C=C\CNCC41C)N2C.
What is the InChIKey of (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The InChIKey is UBJRTQVYULNXKL-PLNGDYQASA-N. The full InChI is InChI=1S/C17H24N2/c1-11-16-9-13-12-5-4-8-18-10-17(11,2)14(12)6-7-15(13)19(16)3/h4-5,11,16,18H,6-10H2,1-3H3/b5-4-.
What are the key properties of (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
(5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene has a molecular weight of 256.39 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene is sourced from PubChem (CID 19879762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).