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

C17H26N2 — CID 19879790

IUPAC10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
SMILESCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NCCC4
InChIInChI=1S/C17H26N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h8,10-11,14,16,18-19H,4-7,9H2,1-3H3
InChIKeyZKTGDXMQANDIBF-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.98
Rot. Bonds

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

10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene (PubChem CID 19879790) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene.

Molecular Properties

Compound Name10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
PubChem CID19879790
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
SMILESCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NCCC4
InChIInChI=1S/C17H26N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h8,10-11,14,16,18-19H,4-7,9H2,1-3H3
InChIKeyZKTGDXMQANDIBF-UHFFFAOYSA-N
XLogP2.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
The IUPAC name of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene (CID 19879790) is 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene.
What is the SMILES notation for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
The canonical SMILES for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene is CC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NCCC4.
What is the InChIKey of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
The InChIKey is ZKTGDXMQANDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h8,10-11,14,16,18-19H,4-7,9H2,1-3H3.
What are the key properties of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene has a molecular weight of 258.41 g/mol, XLogP of 2.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene is sourced from PubChem (CID 19879790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).