4-(4-aminobut-1-enoxy)but-3-en-1-amine

C8H16N2O — CID 57110832

IUPAC4-(4-aminobut-1-enoxy)but-3-en-1-amine
SMILESNCCC=COC=CCCN
InChIInChI=1S/C8H16N2O/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyKNJRBGYWECHDFJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.73
Rot. Bonds6

About 4-(4-aminobut-1-enoxy)but-3-en-1-amine

4-(4-aminobut-1-enoxy)but-3-en-1-amine (PubChem CID 57110832) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(4-aminobut-1-enoxy)but-3-en-1-amine.

Molecular Properties

Compound Name4-(4-aminobut-1-enoxy)but-3-en-1-amine
PubChem CID57110832
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(4-aminobut-1-enoxy)but-3-en-1-amine
SMILESNCCC=COC=CCCN
InChIInChI=1S/C8H16N2O/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyKNJRBGYWECHDFJ-UHFFFAOYSA-N
XLogP0.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 4-(4-aminobut-1-enoxy)but-3-en-1-amine?
The IUPAC name of 4-(4-aminobut-1-enoxy)but-3-en-1-amine (CID 57110832) is 4-(4-aminobut-1-enoxy)but-3-en-1-amine.
What is the SMILES notation for 4-(4-aminobut-1-enoxy)but-3-en-1-amine?
The canonical SMILES for 4-(4-aminobut-1-enoxy)but-3-en-1-amine is NCCC=COC=CCCN.
What is the InChIKey of 4-(4-aminobut-1-enoxy)but-3-en-1-amine?
The InChIKey is KNJRBGYWECHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6,9-10H2.
What are the key properties of 4-(4-aminobut-1-enoxy)but-3-en-1-amine?
4-(4-aminobut-1-enoxy)but-3-en-1-amine has a molecular weight of 156.23 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enoxy)but-3-en-1-amine is sourced from PubChem (CID 57110832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).