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

C19H30N2 — CID 19879777

IUPAC8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
SMILESCCC1CCC2=C3CC4C(=C2)NC(C4C)C(C)C(C)(C3)N1
InChIInChI=1S/C19H30N2/c1-5-15-7-6-13-9-17-16-8-14(13)10-19(4,21-15)12(3)18(20-17)11(16)2/h9,11-12,15-16,18,20-21H,5-8,10H2,1-4H3
InChIKeyROOKGVRCBBFEAN-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.76
Rot. Bonds1

About 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene

8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene (PubChem CID 19879777) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene.

Molecular Properties

Compound Name8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
PubChem CID19879777
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
SMILESCCC1CCC2=C3CC4C(=C2)NC(C4C)C(C)C(C)(C3)N1
InChIInChI=1S/C19H30N2/c1-5-15-7-6-13-9-17-16-8-14(13)10-19(4,21-15)12(3)18(20-17)11(16)2/h9,11-12,15-16,18,20-21H,5-8,10H2,1-4H3
InChIKeyROOKGVRCBBFEAN-UHFFFAOYSA-N
XLogP3.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
The IUPAC name of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene (CID 19879777) is 8-ethyl-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 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
The canonical SMILES for 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene is CCC1CCC2=C3CC4C(=C2)NC(C4C)C(C)C(C)(C3)N1.
What is the InChIKey of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
The InChIKey is ROOKGVRCBBFEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-15-7-6-13-9-17-16-8-14(13)10-19(4,21-15)12(3)18(20-17)11(16)2/h9,11-12,15-16,18,20-21H,5-8,10H2,1-4H3.
What are the key properties of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene?
8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene has a molecular weight of 286.46 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene is sourced from PubChem (CID 19879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).