(2S)-but-3-en-2-amine

C4H9N — CID 10034575

IUPAC(2S)-but-3-en-2-amine
SMILESC=C[C@H](C)N
InChIInChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3/t4-/m0/s1
InChIKeyJDCBWJCUHSVVMN-BYPYZUCNSA-N
MW71.12 g/mol
LogP0.52
Rot. Bonds1

About (2S)-but-3-en-2-amine

(2S)-but-3-en-2-amine (PubChem CID 10034575) has the molecular formula C4H9N and a molecular weight of 71.12 g/mol. Its IUPAC name is (2S)-but-3-en-2-amine.

Molecular Properties

Compound Name(2S)-but-3-en-2-amine
PubChem CID10034575
Molecular FormulaC4H9N
Molecular Weight71.12 g/mol
Exact Mass71.07
IUPAC Name(2S)-but-3-en-2-amine
SMILESC=C[C@H](C)N
InChIInChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3/t4-/m0/s1
InChIKeyJDCBWJCUHSVVMN-BYPYZUCNSA-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 (2S)-but-3-en-2-amine?
The IUPAC name of (2S)-but-3-en-2-amine (CID 10034575) is (2S)-but-3-en-2-amine.
What is the SMILES notation for (2S)-but-3-en-2-amine?
The canonical SMILES for (2S)-but-3-en-2-amine is C=C[C@H](C)N.
What is the InChIKey of (2S)-but-3-en-2-amine?
The InChIKey is JDCBWJCUHSVVMN-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3/t4-/m0/s1.
What are the key properties of (2S)-but-3-en-2-amine?
(2S)-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 (2S)-but-3-en-2-amine is sourced from PubChem (CID 10034575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).