ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine

C13H27NO — CID 91516800

IUPACethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine
SMILESCC.CO/C1=C/CC(C)CN(C)CCC1
InChIInChI=1S/C11H21NO.C2H6/c1-10-6-7-11(13-3)5-4-8-12(2)9-10;1-2/h7,10H,4-6,8-9H2,1-3H3;1-2H3/b11-7+;
InChIKeyXCUHPKAMVWSNBK-RVDQCCQOSA-N
MW213.36 g/mol
LogP3.29
Rot. Bonds1

About ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine

ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine (PubChem CID 91516800) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine.

Molecular Properties

Compound Nameethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine
PubChem CID91516800
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine
SMILESCC.CO/C1=C/CC(C)CN(C)CCC1
InChIInChI=1S/C11H21NO.C2H6/c1-10-6-7-11(13-3)5-4-8-12(2)9-10;1-2/h7,10H,4-6,8-9H2,1-3H3;1-2H3/b11-7+;
InChIKeyXCUHPKAMVWSNBK-RVDQCCQOSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine?
The IUPAC name of ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine (CID 91516800) is ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine.
What is the SMILES notation for ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine?
The canonical SMILES for ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine is CC.CO/C1=C/CC(C)CN(C)CCC1.
What is the InChIKey of ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine?
The InChIKey is XCUHPKAMVWSNBK-RVDQCCQOSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-10-6-7-11(13-3)5-4-8-12(2)9-10;1-2/h7,10H,4-6,8-9H2,1-3H3;1-2H3/b11-7+;.
What are the key properties of ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine?
ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine has a molecular weight of 213.36 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-6-methoxy-1,3-dimethyl-2,3,4,7,8,9-hexahydroazonine is sourced from PubChem (CID 91516800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).