but-2-en-1-amine

C4H9N — CID 30447

IUPACbut-2-en-1-amine
SMILESCC=CCN
InChIInChI=1S/C4H9N/c1-2-3-4-5/h2-3H,4-5H2,1H3
InChIKeyQFUSOYKIDBRREL-UHFFFAOYSA-N
MW71.12 g/mol
LogP0.52
Rot. Bonds1

About but-2-en-1-amine

but-2-en-1-amine (PubChem CID 30447) has the molecular formula C4H9N and a molecular weight of 71.12 g/mol. Its IUPAC name is but-2-en-1-amine.

Molecular Properties

Compound Namebut-2-en-1-amine
PubChem CID30447
Molecular FormulaC4H9N
Molecular Weight71.12 g/mol
Exact Mass71.07
IUPAC Namebut-2-en-1-amine
SMILESCC=CCN
InChIInChI=1S/C4H9N/c1-2-3-4-5/h2-3H,4-5H2,1H3
InChIKeyQFUSOYKIDBRREL-UHFFFAOYSA-N
XLogP0.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.12
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-en-1-amine?
The IUPAC name of but-2-en-1-amine (CID 30447) is but-2-en-1-amine.
What is the SMILES notation for but-2-en-1-amine?
The canonical SMILES for but-2-en-1-amine is CC=CCN.
What is the InChIKey of but-2-en-1-amine?
The InChIKey is QFUSOYKIDBRREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N/c1-2-3-4-5/h2-3H,4-5H2,1H3.
What are the key properties of but-2-en-1-amine?
but-2-en-1-amine has a molecular weight of 71.12 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-1-amine is sourced from PubChem (CID 30447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).