1-ethenoxy-3-propylhex-5-en-2-amine

C11H21NO — CID 54093233

IUPAC1-ethenoxy-3-propylhex-5-en-2-amine
SMILESC=CCC(CCC)C(N)COC=C
InChIInChI=1S/C11H21NO/c1-4-7-10(8-5-2)11(12)9-13-6-3/h4,6,10-11H,1,3,5,7-9,12H2,2H3
InChIKeyMVIIIGOCJNNREK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.47
Rot. Bonds8

About 1-ethenoxy-3-propylhex-5-en-2-amine

1-ethenoxy-3-propylhex-5-en-2-amine (PubChem CID 54093233) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethenoxy-3-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-ethenoxy-3-propylhex-5-en-2-amine
PubChem CID54093233
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethenoxy-3-propylhex-5-en-2-amine
SMILESC=CCC(CCC)C(N)COC=C
InChIInChI=1S/C11H21NO/c1-4-7-10(8-5-2)11(12)9-13-6-3/h4,6,10-11H,1,3,5,7-9,12H2,2H3
InChIKeyMVIIIGOCJNNREK-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-propylhex-5-en-2-amine?
The IUPAC name of 1-ethenoxy-3-propylhex-5-en-2-amine (CID 54093233) is 1-ethenoxy-3-propylhex-5-en-2-amine.
What is the SMILES notation for 1-ethenoxy-3-propylhex-5-en-2-amine?
The canonical SMILES for 1-ethenoxy-3-propylhex-5-en-2-amine is C=CCC(CCC)C(N)COC=C.
What is the InChIKey of 1-ethenoxy-3-propylhex-5-en-2-amine?
The InChIKey is MVIIIGOCJNNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-10(8-5-2)11(12)9-13-6-3/h4,6,10-11H,1,3,5,7-9,12H2,2H3.
What are the key properties of 1-ethenoxy-3-propylhex-5-en-2-amine?
1-ethenoxy-3-propylhex-5-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-propylhex-5-en-2-amine is sourced from PubChem (CID 54093233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).