N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine

C12H24N2O — CID 173302834

IUPACN-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine
SMILESCCNC=C(CC)OC(=CNCC)CC
InChIInChI=1S/C12H24N2O/c1-5-11(9-13-7-3)15-12(6-2)10-14-8-4/h9-10,13-14H,5-8H2,1-4H3
InChIKeySAVSYYDVYRXELF-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.72
Rot. Bonds8

About N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine

N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine (PubChem CID 173302834) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine
PubChem CID173302834
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine
SMILESCCNC=C(CC)OC(=CNCC)CC
InChIInChI=1S/C12H24N2O/c1-5-11(9-13-7-3)15-12(6-2)10-14-8-4/h9-10,13-14H,5-8H2,1-4H3
InChIKeySAVSYYDVYRXELF-UHFFFAOYSA-N
XLogP2.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine?
The IUPAC name of N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine (CID 173302834) is N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine.
What is the SMILES notation for N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine?
The canonical SMILES for N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine is CCNC=C(CC)OC(=CNCC)CC.
What is the InChIKey of N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine?
The InChIKey is SAVSYYDVYRXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-11(9-13-7-3)15-12(6-2)10-14-8-4/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine?
N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(ethylamino)but-1-en-2-yloxy]but-1-en-1-amine is sourced from PubChem (CID 173302834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).