(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine

C10H15NO2 — CID 138711486

IUPAC(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine
SMILESC/C1=C\C=C(N)/C=C/OCCCO1
InChIInChI=1S/C10H15NO2/c1-9-3-4-10(11)5-8-12-6-2-7-13-9/h3-5,8H,2,6-7,11H2,1H3/b8-5+,9-3+,10-4+
InChIKeyGMBVQAKEERWTBD-CXZOTAQWSA-N
MW181.23 g/mol
LogP1.68
Rot. Bonds

About (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine

(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine (PubChem CID 138711486) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine.

Molecular Properties

Compound Name(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine
PubChem CID138711486
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine
SMILESC/C1=C\C=C(N)/C=C/OCCCO1
InChIInChI=1S/C10H15NO2/c1-9-3-4-10(11)5-8-12-6-2-7-13-9/h3-5,8H,2,6-7,11H2,1H3/b8-5+,9-3+,10-4+
InChIKeyGMBVQAKEERWTBD-CXZOTAQWSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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 (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine?
The IUPAC name of (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine (CID 138711486) is (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine.
What is the SMILES notation for (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine?
The canonical SMILES for (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine is C/C1=C\C=C(N)/C=C/OCCCO1.
What is the InChIKey of (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine?
The InChIKey is GMBVQAKEERWTBD-CXZOTAQWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9-3-4-10(11)5-8-12-6-2-7-13-9/h3-5,8H,2,6-7,11H2,1H3/b8-5+,9-3+,10-4+.
What are the key properties of (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine?
(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine has a molecular weight of 181.23 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine is sourced from PubChem (CID 138711486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).