4-but-3-enoxy-N-propylbutan-1-amine

C11H23NO — CID 62441674

IUPAC4-but-3-enoxy-N-propylbutan-1-amine
SMILESC=CCCOCCCCNCCC
InChIInChI=1S/C11H23NO/c1-3-5-10-13-11-7-6-9-12-8-4-2/h3,12H,1,4-11H2,2H3
InChIKeyXDZQZHHXMFCOSP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds10

About 4-but-3-enoxy-N-propylbutan-1-amine

4-but-3-enoxy-N-propylbutan-1-amine (PubChem CID 62441674) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-but-3-enoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-but-3-enoxy-N-propylbutan-1-amine
PubChem CID62441674
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-but-3-enoxy-N-propylbutan-1-amine
SMILESC=CCCOCCCCNCCC
InChIInChI=1S/C11H23NO/c1-3-5-10-13-11-7-6-9-12-8-4-2/h3,12H,1,4-11H2,2H3
InChIKeyXDZQZHHXMFCOSP-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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 4-but-3-enoxy-N-propylbutan-1-amine?
The IUPAC name of 4-but-3-enoxy-N-propylbutan-1-amine (CID 62441674) is 4-but-3-enoxy-N-propylbutan-1-amine.
What is the SMILES notation for 4-but-3-enoxy-N-propylbutan-1-amine?
The canonical SMILES for 4-but-3-enoxy-N-propylbutan-1-amine is C=CCCOCCCCNCCC.
What is the InChIKey of 4-but-3-enoxy-N-propylbutan-1-amine?
The InChIKey is XDZQZHHXMFCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-10-13-11-7-6-9-12-8-4-2/h3,12H,1,4-11H2,2H3.
What are the key properties of 4-but-3-enoxy-N-propylbutan-1-amine?
4-but-3-enoxy-N-propylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N-propylbutan-1-amine is sourced from PubChem (CID 62441674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).