2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine

C11H22N2 — CID 116679351

IUPAC2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine
SMILESCCN(CC(C)=C1CNC1)C(C)C
InChIInChI=1S/C11H22N2/c1-5-13(9(2)3)8-10(4)11-6-12-7-11/h9,12H,5-8H2,1-4H3
InChIKeyDNRZISTUTKHIHL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine

2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine (PubChem CID 116679351) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine
PubChem CID116679351
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine
SMILESCCN(CC(C)=C1CNC1)C(C)C
InChIInChI=1S/C11H22N2/c1-5-13(9(2)3)8-10(4)11-6-12-7-11/h9,12H,5-8H2,1-4H3
InChIKeyDNRZISTUTKHIHL-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
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-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine (CID 116679351) is 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine is CCN(CC(C)=C1CNC1)C(C)C.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is DNRZISTUTKHIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-13(9(2)3)8-10(4)11-6-12-7-11/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine?
2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 116679351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).