3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine

C8H16N2O — CID 87075628

IUPAC3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine
SMILESC=C(OC(=C)C(C)N)C(C)N
InChIInChI=1S/C8H16N2O/c1-5(9)7(3)11-8(4)6(2)10/h5-6H,3-4,9-10H2,1-2H3
InChIKeyXTHVKRBQENCJLR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.72
Rot. Bonds4

About 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine

3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine (PubChem CID 87075628) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine.

Molecular Properties

Compound Name3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine
PubChem CID87075628
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine
SMILESC=C(OC(=C)C(C)N)C(C)N
InChIInChI=1S/C8H16N2O/c1-5(9)7(3)11-8(4)6(2)10/h5-6H,3-4,9-10H2,1-2H3
InChIKeyXTHVKRBQENCJLR-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
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 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine?
The IUPAC name of 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine (CID 87075628) is 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine.
What is the SMILES notation for 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine?
The canonical SMILES for 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine is C=C(OC(=C)C(C)N)C(C)N.
What is the InChIKey of 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine?
The InChIKey is XTHVKRBQENCJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(9)7(3)11-8(4)6(2)10/h5-6H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine?
3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine has a molecular weight of 156.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobut-1-en-2-yloxy)but-3-en-2-amine is sourced from PubChem (CID 87075628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).