2-ethoxy-N-methyloct-7-en-3-amine

C11H23NO — CID 64532987

IUPAC2-ethoxy-N-methyloct-7-en-3-amine
SMILESC=CCCCC(NC)C(C)OCC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-11(12-4)10(3)13-6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyITCYDZIYIBQPDX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds8

About 2-ethoxy-N-methyloct-7-en-3-amine

2-ethoxy-N-methyloct-7-en-3-amine (PubChem CID 64532987) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-ethoxy-N-methyloct-7-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyloct-7-en-3-amine
PubChem CID64532987
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-ethoxy-N-methyloct-7-en-3-amine
SMILESC=CCCCC(NC)C(C)OCC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-11(12-4)10(3)13-6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyITCYDZIYIBQPDX-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-ethoxy-N-methyloct-7-en-3-amine?
The IUPAC name of 2-ethoxy-N-methyloct-7-en-3-amine (CID 64532987) is 2-ethoxy-N-methyloct-7-en-3-amine.
What is the SMILES notation for 2-ethoxy-N-methyloct-7-en-3-amine?
The canonical SMILES for 2-ethoxy-N-methyloct-7-en-3-amine is C=CCCCC(NC)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-methyloct-7-en-3-amine?
The InChIKey is ITCYDZIYIBQPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-8-9-11(12-4)10(3)13-6-2/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 2-ethoxy-N-methyloct-7-en-3-amine?
2-ethoxy-N-methyloct-7-en-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyloct-7-en-3-amine is sourced from PubChem (CID 64532987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).