(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine

C12H19NO — CID 145474105

IUPAC(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine
SMILESC/C=C1C(=C/C)\OC2(CCC2)CC\1N
InChIInChI=1S/C12H19NO/c1-3-9-10(13)8-12(6-5-7-12)14-11(9)4-2/h3-4,10H,5-8,13H2,1-2H3/b9-3-,11-4+
InChIKeyBOFRGMPSXDWSFN-NAYJDIOTSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds

About (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine

(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 145474105) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Name(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID145474105
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine
SMILESC/C=C1C(=C/C)\OC2(CCC2)CC\1N
InChIInChI=1S/C12H19NO/c1-3-9-10(13)8-12(6-5-7-12)14-11(9)4-2/h3-4,10H,5-8,13H2,1-2H3/b9-3-,11-4+
InChIKeyBOFRGMPSXDWSFN-NAYJDIOTSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine 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

2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
CID 142283425
ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474100
ethane;(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474102
(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane
CID 145474104
(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane
CID 145474109
(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474101
(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474103
(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474110

Frequently Asked Questions

What is the IUPAC name of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine (CID 145474105) is (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine is C/C=C1C(=C/C)\OC2(CCC2)CC\1N.
What is the InChIKey of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is BOFRGMPSXDWSFN-NAYJDIOTSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-10(13)8-12(6-5-7-12)14-11(9)4-2/h3-4,10H,5-8,13H2,1-2H3/b9-3-,11-4+.
What are the key properties of (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine?
(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 193.29 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 (6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 145474105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).