(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine

C12H20N2 — CID 142862689

IUPAC(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine
SMILESCC1CC/C=N\C=C2\CCCNC21C
InChIInChI=1S/C12H20N2/c1-10-5-3-7-13-9-11-6-4-8-14-12(10,11)2/h7,9-10,14H,3-6,8H2,1-2H3/b11-9-,13-7-
InChIKeyCVBGVVJVIFDELF-RXGPPVHZSA-N
MW192.31 g/mol
LogP2.51
Rot. Bonds

About (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine

(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine (PubChem CID 142862689) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine.

Molecular Properties

Compound Name(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine
PubChem CID142862689
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine
SMILESCC1CC/C=N\C=C2\CCCNC21C
InChIInChI=1S/C12H20N2/c1-10-5-3-7-13-9-11-6-4-8-14-12(10,11)2/h7,9-10,14H,3-6,8H2,1-2H3/b11-9-,13-7-
InChIKeyCVBGVVJVIFDELF-RXGPPVHZSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine?
The IUPAC name of (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine (CID 142862689) is (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine.
What is the SMILES notation for (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine?
The canonical SMILES for (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine is CC1CC/C=N\C=C2\CCCNC21C.
What is the InChIKey of (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine?
The InChIKey is CVBGVVJVIFDELF-RXGPPVHZSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-5-3-7-13-9-11-6-4-8-14-12(10,11)2/h7,9-10,14H,3-6,8H2,1-2H3/b11-9-,13-7-.
What are the key properties of (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine?
(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine has a molecular weight of 192.31 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine is sourced from PubChem (CID 142862689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).