1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine

C11H17NO — CID 87074738

IUPAC1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)C(C=C)OC=C
InChIInChI=1S/C11H17NO/c1-5-9-12(10-6-2)11(7-3)13-8-4/h5-8,11H,1-4,9-10H2
InChIKeyNPQBBTFNOLTNLL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.33
Rot. Bonds8

About 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine

1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine (PubChem CID 87074738) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine
PubChem CID87074738
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)C(C=C)OC=C
InChIInChI=1S/C11H17NO/c1-5-9-12(10-6-2)11(7-3)13-8-4/h5-8,11H,1-4,9-10H2
InChIKeyNPQBBTFNOLTNLL-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine (CID 87074738) is 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine is C=CCN(CC=C)C(C=C)OC=C.
What is the InChIKey of 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The InChIKey is NPQBBTFNOLTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9-12(10-6-2)11(7-3)13-8-4/h5-8,11H,1-4,9-10H2.
What are the key properties of 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-N,N-bis(prop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 87074738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).