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

C10H15NO2 — CID 143700060

IUPAC(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine
SMILESCC(C)=C/C=C1/OCCO/C1=C/N
InChIInChI=1S/C10H15NO2/c1-8(2)3-4-9-10(7-11)13-6-5-12-9/h3-4,7H,5-6,11H2,1-2H3/b9-4+,10-7+
InChIKeyUKWGODVYGVGGEQ-SXFWLWNESA-N
MW181.23 g/mol
LogP1.68
Rot. Bonds1

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

(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine (PubChem CID 143700060) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine
PubChem CID143700060
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine
SMILESCC(C)=C/C=C1/OCCO/C1=C/N
InChIInChI=1S/C10H15NO2/c1-8(2)3-4-9-10(7-11)13-6-5-12-9/h3-4,7H,5-6,11H2,1-2H3/b9-4+,10-7+
InChIKeyUKWGODVYGVGGEQ-SXFWLWNESA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine?
The IUPAC name of (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine (CID 143700060) is (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine.
What is the SMILES notation for (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine?
The canonical SMILES for (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine is CC(C)=C/C=C1/OCCO/C1=C/N.
What is the InChIKey of (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine?
The InChIKey is UKWGODVYGVGGEQ-SXFWLWNESA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)3-4-9-10(7-11)13-6-5-12-9/h3-4,7H,5-6,11H2,1-2H3/b9-4+,10-7+.
What are the key properties of (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine?
(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine is sourced from PubChem (CID 143700060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).