4-ethoxy-N,5-dimethylhept-6-en-2-amine

C11H23NO — CID 155032094

IUPAC4-ethoxy-N,5-dimethylhept-6-en-2-amine
SMILESC=CC(C)C(CC(C)NC)OCC
InChIInChI=1S/C11H23NO/c1-6-9(3)11(13-7-2)8-10(4)12-5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyACJGOUFMCCZWHU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About 4-ethoxy-N,5-dimethylhept-6-en-2-amine

4-ethoxy-N,5-dimethylhept-6-en-2-amine (PubChem CID 155032094) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-ethoxy-N,5-dimethylhept-6-en-2-amine.

Molecular Properties

Compound Name4-ethoxy-N,5-dimethylhept-6-en-2-amine
PubChem CID155032094
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-ethoxy-N,5-dimethylhept-6-en-2-amine
SMILESC=CC(C)C(CC(C)NC)OCC
InChIInChI=1S/C11H23NO/c1-6-9(3)11(13-7-2)8-10(4)12-5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyACJGOUFMCCZWHU-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-ethoxy-N,5-dimethylhept-6-en-2-amine?
The IUPAC name of 4-ethoxy-N,5-dimethylhept-6-en-2-amine (CID 155032094) is 4-ethoxy-N,5-dimethylhept-6-en-2-amine.
What is the SMILES notation for 4-ethoxy-N,5-dimethylhept-6-en-2-amine?
The canonical SMILES for 4-ethoxy-N,5-dimethylhept-6-en-2-amine is C=CC(C)C(CC(C)NC)OCC.
What is the InChIKey of 4-ethoxy-N,5-dimethylhept-6-en-2-amine?
The InChIKey is ACJGOUFMCCZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-9(3)11(13-7-2)8-10(4)12-5/h6,9-12H,1,7-8H2,2-5H3.
What are the key properties of 4-ethoxy-N,5-dimethylhept-6-en-2-amine?
4-ethoxy-N,5-dimethylhept-6-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,5-dimethylhept-6-en-2-amine is sourced from PubChem (CID 155032094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).