but-3-en-2-amine

C4H9N — CID 15584178

IUPACbut-3-en-2-amine
SMILESC=CC(C)N
InChIInChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3
InChIKeyJDCBWJCUHSVVMN-UHFFFAOYSA-N
MW71.12 g/mol
LogP0.52
Rot. Bonds1

About but-3-en-2-amine

but-3-en-2-amine (PubChem CID 15584178) has the molecular formula C4H9N and a molecular weight of 71.12 g/mol. Its IUPAC name is but-3-en-2-amine.

Molecular Properties

Compound Namebut-3-en-2-amine
PubChem CID15584178
Molecular FormulaC4H9N
Molecular Weight71.12 g/mol
Exact Mass71.07
IUPAC Namebut-3-en-2-amine
SMILESC=CC(C)N
InChIInChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3
InChIKeyJDCBWJCUHSVVMN-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-3-en-2-amine?
The IUPAC name of but-3-en-2-amine (CID 15584178) is but-3-en-2-amine.
What is the SMILES notation for but-3-en-2-amine?
The canonical SMILES for but-3-en-2-amine is C=CC(C)N.
What is the InChIKey of but-3-en-2-amine?
The InChIKey is JDCBWJCUHSVVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3.
What are the key properties of but-3-en-2-amine?
but-3-en-2-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-3-en-2-amine is sourced from PubChem (CID 15584178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).