(2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine

C11H21NO2 — CID 154981691

IUPAC(2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine
SMILESC=C(CC/C=C(\C)CN)OCCOC
InChIInChI=1S/C11H21NO2/c1-10(9-12)5-4-6-11(2)14-8-7-13-3/h5H,2,4,6-9,12H2,1,3H3/b10-5+
InChIKeyDAJSREWPUNLRIP-BJMVGYQFSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds8

About (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine

(2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine (PubChem CID 154981691) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine
PubChem CID154981691
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine
SMILESC=C(CC/C=C(\C)CN)OCCOC
InChIInChI=1S/C11H21NO2/c1-10(9-12)5-4-6-11(2)14-8-7-13-3/h5H,2,4,6-9,12H2,1,3H3/b10-5+
InChIKeyDAJSREWPUNLRIP-BJMVGYQFSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine (CID 154981691) is (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine is C=C(CC/C=C(\C)CN)OCCOC.
What is the InChIKey of (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine?
The InChIKey is DAJSREWPUNLRIP-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(9-12)5-4-6-11(2)14-8-7-13-3/h5H,2,4,6-9,12H2,1,3H3/b10-5+.
What are the key properties of (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine?
(2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-(2-methoxyethoxy)-2-methylhepta-2,6-dien-1-amine is sourced from PubChem (CID 154981691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).