(6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine

C12H20N2 — CID 143082450

IUPAC(6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine
SMILESCC1CC/C=C\N=C2\CCCNC21C
InChIInChI=1S/C12H20N2/c1-10-6-3-4-8-13-11-7-5-9-14-12(10,11)2/h4,8,10,14H,3,5-7,9H2,1-2H3/b8-4-,13-11-
InChIKeyBZANDTJIIRBHIJ-IUPQIDGZSA-N
MW192.31 g/mol
LogP2.51
Rot. Bonds

About (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine

(6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine (PubChem CID 143082450) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine.

Molecular Properties

Compound Name(6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine
PubChem CID143082450
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine
SMILESCC1CC/C=C\N=C2\CCCNC21C
InChIInChI=1S/C12H20N2/c1-10-6-3-4-8-13-11-7-5-9-14-12(10,11)2/h4,8,10,14H,3,5-7,9H2,1-2H3/b8-4-,13-11-
InChIKeyBZANDTJIIRBHIJ-IUPQIDGZSA-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 (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2,6,6-Tetramethylpiperidin-3-yl)prop-1-en-1-amine
CID 70302406
2-Methyl-5-piperidin-4-yl-3,4-dihydropyridine
CID 91019224
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
CID 123370701
4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
CID 138631842
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
ethane;N-ethenyl-1-piperidin-3-ylprop-2-en-1-imine
CID 141923227
ethane;1-N-methyl-1-piperidin-4-yl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 142137752
4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine
CID 144839762
3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine
CID 156796719
N-ethenyl-1-piperidin-3-ylprop-2-en-1-imine
CID 141923228
1-N-methyl-1-piperidin-4-yl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 142137753
(4aZ)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-c]azocine
CID 142862689

Frequently Asked Questions

What is the IUPAC name of (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine?
The IUPAC name of (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine (CID 143082450) is (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine.
What is the SMILES notation for (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine?
The canonical SMILES for (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine is CC1CC/C=C\N=C2\CCCNC21C.
What is the InChIKey of (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine?
The InChIKey is BZANDTJIIRBHIJ-IUPQIDGZSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-6-3-4-8-13-11-7-5-9-14-12(10,11)2/h4,8,10,14H,3,5-7,9H2,1-2H3/b8-4-,13-11-.
What are the key properties of (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine?
(6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]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 (6Z)-10,10a-dimethyl-2,3,4,8,9,10-hexahydro-1H-pyrido[3,2-b]azocine is sourced from PubChem (CID 143082450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).