(6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine

C10H17NO2 — CID 138711931

IUPAC(6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine
SMILESCC1/C=C(/N)C/C=C\COCCO1
InChIInChI=1S/C10H17NO2/c1-9-8-10(11)4-2-3-5-12-6-7-13-9/h2-3,8-9H,4-7,11H2,1H3/b3-2-,10-8+
InChIKeyVOTIAICBZNCQGQ-QQOOZTEWSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds

About (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine

(6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine (PubChem CID 138711931) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine.

Molecular Properties

Compound Name(6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine
PubChem CID138711931
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine
SMILESCC1/C=C(/N)C/C=C\COCCO1
InChIInChI=1S/C10H17NO2/c1-9-8-10(11)4-2-3-5-12-6-7-13-9/h2-3,8-9H,4-7,11H2,1H3/b3-2-,10-8+
InChIKeyVOTIAICBZNCQGQ-QQOOZTEWSA-N
XLogP1.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine?
The IUPAC name of (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine (CID 138711931) is (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine.
What is the SMILES notation for (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine?
The canonical SMILES for (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine is CC1/C=C(/N)C/C=C\COCCO1.
What is the InChIKey of (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine?
The InChIKey is VOTIAICBZNCQGQ-QQOOZTEWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9-8-10(11)4-2-3-5-12-6-7-13-9/h2-3,8-9H,4-7,11H2,1H3/b3-2-,10-8+.
What are the key properties of (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine?
(6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine has a molecular weight of 183.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9Z)-5-methyl-1,4-dioxacycloundeca-6,9-dien-7-amine is sourced from PubChem (CID 138711931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).