ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine

C11H21NO2 — CID 178170687

IUPACethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine
SMILESC/C=C1/OCCO/C1=C/N(C)C.CC
InChIInChI=1S/C9H15NO2.C2H6/c1-4-8-9(7-10(2)3)12-6-5-11-8;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b8-4+,9-7+;
InChIKeyQEBHXBMXQYRVOK-RQRTXIBDSA-N
MW199.29 g/mol
LogP2.37
Rot. Bonds1

About ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine

ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine (PubChem CID 178170687) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine
PubChem CID178170687
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine
SMILESC/C=C1/OCCO/C1=C/N(C)C.CC
InChIInChI=1S/C9H15NO2.C2H6/c1-4-8-9(7-10(2)3)12-6-5-11-8;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b8-4+,9-7+;
InChIKeyQEBHXBMXQYRVOK-RQRTXIBDSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine?
The IUPAC name of ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine (CID 178170687) is ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine.
What is the SMILES notation for ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine?
The canonical SMILES for ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine is C/C=C1/OCCO/C1=C/N(C)C.CC.
What is the InChIKey of ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine?
The InChIKey is QEBHXBMXQYRVOK-RQRTXIBDSA-N. The full InChI is InChI=1S/C9H15NO2.C2H6/c1-4-8-9(7-10(2)3)12-6-5-11-8;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b8-4+,9-7+;.
What are the key properties of ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine?
ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine has a molecular weight of 199.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine is sourced from PubChem (CID 178170687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).