2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine

C10H20N2 — CID 116679178

IUPAC2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)=C1CNC1
InChIInChI=1S/C10H20N2/c1-4-12(5-2)8-9(3)10-6-11-7-10/h11H,4-8H2,1-3H3
InChIKeyOZGNQOXQCZCLCI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine

2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine (PubChem CID 116679178) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine
PubChem CID116679178
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)=C1CNC1
InChIInChI=1S/C10H20N2/c1-4-12(5-2)8-9(3)10-6-11-7-10/h11H,4-8H2,1-3H3
InChIKeyOZGNQOXQCZCLCI-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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,N-diethylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine (CID 116679178) is 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine is CCN(CC)CC(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine?
The InChIKey is OZGNQOXQCZCLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-12(5-2)8-9(3)10-6-11-7-10/h11H,4-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine?
2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 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,N-diethylpropan-1-amine is sourced from PubChem (CID 116679178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).