(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene

C17H24N2 — CID 19879742

IUPAC(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
SMILESCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NC/C=C\4
InChIInChI=1S/C17H24N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h4-5,8,10-11,14,16,18-19H,6-7,9H2,1-3H3/b5-4-
InChIKeyHEXKWLJBPZUPLG-PLNGDYQASA-N
MW256.39 g/mol
LogP2.75
Rot. Bonds

About (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene

(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene (PubChem CID 19879742) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene.

Molecular Properties

Compound Name(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
PubChem CID19879742
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
SMILESCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NC/C=C\4
InChIInChI=1S/C17H24N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h4-5,8,10-11,14,16,18-19H,6-7,9H2,1-3H3/b5-4-
InChIKeyHEXKWLJBPZUPLG-PLNGDYQASA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
The IUPAC name of (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene (CID 19879742) is (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene.
What is the SMILES notation for (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
The canonical SMILES for (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene is CC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NC/C=C\4.
What is the InChIKey of (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
The InChIKey is HEXKWLJBPZUPLG-PLNGDYQASA-N. The full InChI is InChI=1S/C17H24N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h4-5,8,10-11,14,16,18-19H,6-7,9H2,1-3H3/b5-4-.
What are the key properties of (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene has a molecular weight of 256.39 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene is sourced from PubChem (CID 19879742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).