(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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Related Compounds

8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-c]azepine
CID 66837152
(1E,3E)-2-methoxy-3-(3-methoxypropoxy)hexa-1,3,5-trien-1-amine
CID 88274346
(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
CID 89210523
(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine
CID 138710993
ethane;(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine
CID 145543307
(1E,3E,5E)-2,3-diethoxy-6-methylocta-1,3,5-trien-1-amine;ethane
CID 145543329
ethane;(1E,3E)-2-ethoxy-3-methoxy-6-methylhepta-1,3,5-trien-1-amine
CID 145543393
(E)-[(3E)-3-[(E)-4,4-dimethylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
CID 161907383
(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
CID 170031018
(1E,3E,5E)-2,3-diethoxy-6-methylocta-1,3,5-trien-1-amine
CID 145543330
(1E,3E)-2-ethoxy-3-methoxy-6-methylhepta-1,3,5-trien-1-amine
CID 145543394

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).