(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane

C17H32N2O — CID 145474109

IUPAC(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane
SMILESC=C/C=C1C(=C/N)\OC2(CCC2)CC\1NC.CC.CC
InChIInChI=1S/C13H20N2O.2C2H6/c1-3-5-10-11(15-2)8-13(6-4-7-13)16-12(10)9-14;2*1-2/h3,5,9,11,15H,1,4,6-8,14H2,2H3;2*1-2H3/b10-5-,12-9+;;
InChIKeyZVTDKWXWUPJROR-NDVPFBCTSA-N
MW280.46 g/mol
LogP3.88
Rot. Bonds2

About (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane

(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane (PubChem CID 145474109) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane.

Molecular Properties

Compound Name(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane
PubChem CID145474109
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane
SMILESC=C/C=C1C(=C/N)\OC2(CCC2)CC\1NC.CC.CC
InChIInChI=1S/C13H20N2O.2C2H6/c1-3-5-10-11(15-2)8-13(6-4-7-13)16-12(10)9-14;2*1-2/h3,5,9,11,15H,1,4,6-8,14H2,2H3;2*1-2H3/b10-5-,12-9+;;
InChIKeyZVTDKWXWUPJROR-NDVPFBCTSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-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)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine
CID 145474105
(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-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane?
The IUPAC name of (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane (CID 145474109) is (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane.
What is the SMILES notation for (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane?
The canonical SMILES for (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane is C=C/C=C1C(=C/N)\OC2(CCC2)CC\1NC.CC.CC.
What is the InChIKey of (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane?
The InChIKey is ZVTDKWXWUPJROR-NDVPFBCTSA-N. The full InChI is InChI=1S/C13H20N2O.2C2H6/c1-3-5-10-11(15-2)8-13(6-4-7-13)16-12(10)9-14;2*1-2/h3,5,9,11,15H,1,4,6-8,14H2,2H3;2*1-2H3/b10-5-,12-9+;;.
What are the key properties of (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane?
(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane has a molecular weight of 280.46 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine;ethane is sourced from PubChem (CID 145474109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).