5-ethoxy-4-methyl-N-propylpent-3-en-1-amine

C11H23NO — CID 79597967

IUPAC5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)COCC
InChIInChI=1S/C11H23NO/c1-4-8-12-9-6-7-11(3)10-13-5-2/h7,12H,4-6,8-10H2,1-3H3
InChIKeyNTMZIQRBIRWCBU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds8

About 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine

5-ethoxy-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79597967) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79597967
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)COCC
InChIInChI=1S/C11H23NO/c1-4-8-12-9-6-7-11(3)10-13-5-2/h7,12H,4-6,8-10H2,1-3H3
InChIKeyNTMZIQRBIRWCBU-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 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine (CID 79597967) is 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)COCC.
What is the InChIKey of 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is NTMZIQRBIRWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-8-12-9-6-7-11(3)10-13-5-2/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine?
5-ethoxy-4-methyl-N-propylpent-3-en-1-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 5-ethoxy-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79597967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).