5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine

C11H23NO — CID 79599561

IUPAC5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCCOCC=CCCNCC(C)C
InChIInChI=1S/C11H23NO/c1-4-13-9-7-5-6-8-12-10-11(2)3/h5,7,11-12H,4,6,8-10H2,1-3H3
InChIKeyBDVXRZZUZRSIRE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine

5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79599561) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79599561
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCCOCC=CCCNCC(C)C
InChIInChI=1S/C11H23NO/c1-4-13-9-7-5-6-8-12-10-11(2)3/h5,7,11-12H,4,6,8-10H2,1-3H3
InChIKeyBDVXRZZUZRSIRE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine (CID 79599561) is 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine is CCOCC=CCCNCC(C)C.
What is the InChIKey of 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is BDVXRZZUZRSIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-13-9-7-5-6-8-12-10-11(2)3/h5,7,11-12H,4,6,8-10H2,1-3H3.
What are the key properties of 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine?
5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79599561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).