(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine

C16H24N2 — CID 170668918

IUPAC(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine
SMILESCC(C)c1ccnc2c1C(C(C)C)C/C=C\NC2
InChIInChI=1S/C16H24N2/c1-11(2)13-6-5-8-17-10-15-16(13)14(12(3)4)7-9-18-15/h5,7-9,11-13,17H,6,10H2,1-4H3/b8-5-
InChIKeyXYOHUFUTKUSEPX-YVMONPNESA-N
MW244.38 g/mol
LogP3.95
Rot. Bonds2

About (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine

(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine (PubChem CID 170668918) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine.

Molecular Properties

Compound Name(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine
PubChem CID170668918
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine
SMILESCC(C)c1ccnc2c1C(C(C)C)C/C=C\NC2
InChIInChI=1S/C16H24N2/c1-11(2)13-6-5-8-17-10-15-16(13)14(12(3)4)7-9-18-15/h5,7-9,11-13,17H,6,10H2,1-4H3/b8-5-
InChIKeyXYOHUFUTKUSEPX-YVMONPNESA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine?
The IUPAC name of (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine (CID 170668918) is (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine.
What is the SMILES notation for (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine?
The canonical SMILES for (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine is CC(C)c1ccnc2c1C(C(C)C)C/C=C\NC2.
What is the InChIKey of (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine?
The InChIKey is XYOHUFUTKUSEPX-YVMONPNESA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)13-6-5-8-17-10-15-16(13)14(12(3)4)7-9-18-15/h5,7-9,11-13,17H,6,10H2,1-4H3/b8-5-.
What are the key properties of (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine?
(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine has a molecular weight of 244.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine is sourced from PubChem (CID 170668918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).