2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine

C9H18N2 — CID 131248661

IUPAC2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine
SMILESC/C=C/CN1CC(CCN)C1
InChIInChI=1S/C9H18N2/c1-2-3-6-11-7-9(8-11)4-5-10/h2-3,9H,4-8,10H2,1H3/b3-2+
InChIKeyPQXKLIBLVRKVNG-NSCUHMNNSA-N
MW154.26 g/mol
LogP0.84
Rot. Bonds4

About 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine

2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine (PubChem CID 131248661) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine
PubChem CID131248661
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine
SMILESC/C=C/CN1CC(CCN)C1
InChIInChI=1S/C9H18N2/c1-2-3-6-11-7-9(8-11)4-5-10/h2-3,9H,4-8,10H2,1H3/b3-2+
InChIKeyPQXKLIBLVRKVNG-NSCUHMNNSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine (CID 131248661) is 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine is C/C=C/CN1CC(CCN)C1.
What is the InChIKey of 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine?
The InChIKey is PQXKLIBLVRKVNG-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-6-11-7-9(8-11)4-5-10/h2-3,9H,4-8,10H2,1H3/b3-2+.
What are the key properties of 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine?
2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine is sourced from PubChem (CID 131248661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).