(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine

C11H17NO2 — CID 89210523

IUPAC(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
SMILESCC/C(C)=C/C=C1/OCCO/C1=C/N
InChIInChI=1S/C11H17NO2/c1-3-9(2)4-5-10-11(8-12)14-7-6-13-10/h4-5,8H,3,6-7,12H2,1-2H3/b9-4+,10-5+,11-8+
InChIKeyJOKSHMBHFZFMLK-DXKNTFMESA-N
MW195.26 g/mol
LogP2.07
Rot. Bonds2

About (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine

(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine (PubChem CID 89210523) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
PubChem CID89210523
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
SMILESCC/C(C)=C/C=C1/OCCO/C1=C/N
InChIInChI=1S/C11H17NO2/c1-3-9(2)4-5-10-11(8-12)14-7-6-13-10/h4-5,8H,3,6-7,12H2,1-2H3/b9-4+,10-5+,11-8+
InChIKeyJOKSHMBHFZFMLK-DXKNTFMESA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
The IUPAC name of (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine (CID 89210523) is (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine.
What is the SMILES notation for (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
The canonical SMILES for (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine is CC/C(C)=C/C=C1/OCCO/C1=C/N.
What is the InChIKey of (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
The InChIKey is JOKSHMBHFZFMLK-DXKNTFMESA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-9(2)4-5-10-11(8-12)14-7-6-13-10/h4-5,8H,3,6-7,12H2,1-2H3/b9-4+,10-5+,11-8+.
What are the key properties of (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine has a molecular weight of 195.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine is sourced from PubChem (CID 89210523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).