1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine

C14H28N2O — CID 87696131

IUPAC1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine
SMILESC=CC(OC(C=C)N(CC)CC)N(CC)CC
InChIInChI=1S/C14H28N2O/c1-7-13(15(9-3)10-4)17-14(8-2)16(11-5)12-6/h7-8,13-14H,1-2,9-12H2,3-6H3
InChIKeyNFEXARQHWDOEBM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.71
Rot. Bonds10

About 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine

1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine (PubChem CID 87696131) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine
PubChem CID87696131
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine
SMILESC=CC(OC(C=C)N(CC)CC)N(CC)CC
InChIInChI=1S/C14H28N2O/c1-7-13(15(9-3)10-4)17-14(8-2)16(11-5)12-6/h7-8,13-14H,1-2,9-12H2,3-6H3
InChIKeyNFEXARQHWDOEBM-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine?
The IUPAC name of 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine (CID 87696131) is 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine.
What is the SMILES notation for 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine?
The canonical SMILES for 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine is C=CC(OC(C=C)N(CC)CC)N(CC)CC.
What is the InChIKey of 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine?
The InChIKey is NFEXARQHWDOEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-13(15(9-3)10-4)17-14(8-2)16(11-5)12-6/h7-8,13-14H,1-2,9-12H2,3-6H3.
What are the key properties of 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine?
1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)prop-2-enoxy]-N,N-diethylprop-2-en-1-amine is sourced from PubChem (CID 87696131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).