(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine

C11H21NO2 — CID 170149973

IUPAC(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
SMILESCO[C@H]1/C=C\CCC(C)NC[C@@H]1OC
InChIInChI=1S/C11H21NO2/c1-9-6-4-5-7-10(13-2)11(14-3)8-12-9/h5,7,9-12H,4,6,8H2,1-3H3/b7-5-/t9?,10-,11-/m0/s1
InChIKeyQKXWZRLABYLGPT-SEAMXJATSA-N
MW199.29 g/mol
LogP1.34
Rot. Bonds2

About (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine

(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine (PubChem CID 170149973) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine.

Molecular Properties

Compound Name(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
PubChem CID170149973
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
SMILESCO[C@H]1/C=C\CCC(C)NC[C@@H]1OC
InChIInChI=1S/C11H21NO2/c1-9-6-4-5-7-10(13-2)11(14-3)8-12-9/h5,7,9-12H,4,6,8H2,1-3H3/b7-5-/t9?,10-,11-/m0/s1
InChIKeyQKXWZRLABYLGPT-SEAMXJATSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
The IUPAC name of (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine (CID 170149973) is (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine.
What is the SMILES notation for (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
The canonical SMILES for (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine is CO[C@H]1/C=C\CCC(C)NC[C@@H]1OC.
What is the InChIKey of (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
The InChIKey is QKXWZRLABYLGPT-SEAMXJATSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-6-4-5-7-10(13-2)11(14-3)8-12-9/h5,7,9-12H,4,6,8H2,1-3H3/b7-5-/t9?,10-,11-/m0/s1.
What are the key properties of (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine has a molecular weight of 199.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine is sourced from PubChem (CID 170149973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).