2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine

C8H16N2O — CID 175394824

IUPAC2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine
SMILESCC=C(CN)OC(=CC)CN
InChIInChI=1S/C8H16N2O/c1-3-7(5-9)11-8(4-2)6-10/h3-4H,5-6,9-10H2,1-2H3
InChIKeyNFHQWTFTQCGBOJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.73
Rot. Bonds4

About 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine

2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine (PubChem CID 175394824) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine.

Molecular Properties

Compound Name2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine
PubChem CID175394824
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine
SMILESCC=C(CN)OC(=CC)CN
InChIInChI=1S/C8H16N2O/c1-3-7(5-9)11-8(4-2)6-10/h3-4H,5-6,9-10H2,1-2H3
InChIKeyNFHQWTFTQCGBOJ-UHFFFAOYSA-N
XLogP0.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.73
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 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine?
The IUPAC name of 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine (CID 175394824) is 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine.
What is the SMILES notation for 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine?
The canonical SMILES for 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine is CC=C(CN)OC(=CC)CN.
What is the InChIKey of 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine?
The InChIKey is NFHQWTFTQCGBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7(5-9)11-8(4-2)6-10/h3-4H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine?
2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine has a molecular weight of 156.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobut-2-en-2-yloxy)but-2-en-1-amine is sourced from PubChem (CID 175394824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).