1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one

C14H28N2O — CID 170793149

IUPAC1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one
SMILESCCN(CC)C(C)C(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-7-15(8-2)11(3)13(17)16-9-12(10-16)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyZGDXHLLJZPFKCH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one

1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one (PubChem CID 170793149) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one
PubChem CID170793149
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one
SMILESCCN(CC)C(C)C(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-7-15(8-2)11(3)13(17)16-9-12(10-16)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyZGDXHLLJZPFKCH-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one?
The IUPAC name of 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one (CID 170793149) is 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one.
What is the SMILES notation for 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one?
The canonical SMILES for 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one is CCN(CC)C(C)C(=O)N1CC(C(C)(C)C)C1.
What is the InChIKey of 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one?
The InChIKey is ZGDXHLLJZPFKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-15(8-2)11(3)13(17)16-9-12(10-16)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one?
1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one is sourced from PubChem (CID 170793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).