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

C13H20N2O — CID 145474110

IUPAC(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1C(=C/N)\OC2(CCC2)CC\1NC
InChIInChI=1S/C13H20N2O/c1-3-5-10-11(15-2)8-13(6-4-7-13)16-12(10)9-14/h3,5,9,11,15H,1,4,6-8,14H2,2H3/b10-5-,12-9+
InChIKeyRYAADNNTDVYXPQ-JQGFWPTESA-N
MW220.32 g/mol
LogP1.83
Rot. Bonds2

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

(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 145474110) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Name(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
PubChem CID145474110
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1C(=C/N)\OC2(CCC2)CC\1NC
InChIInChI=1S/C13H20N2O/c1-3-5-10-11(15-2)8-13(6-4-7-13)16-12(10)9-14/h3,5,9,11,15H,1,4,6-8,14H2,2H3/b10-5-,12-9+
InChIKeyRYAADNNTDVYXPQ-JQGFWPTESA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (CID 145474110) is (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is C=C/C=C1C(=C/N)\OC2(CCC2)CC\1NC.
What is the InChIKey of (6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is RYAADNNTDVYXPQ-JQGFWPTESA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-5-10-11(15-2)8-13(6-4-7-13)16-12(10)9-14/h3,5,9,11,15H,1,4,6-8,14H2,2H3/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?
(6E,7Z)-6-(aminomethylidene)-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 220.32 g/mol, XLogP of 1.83, 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 is sourced from PubChem (CID 145474110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).