N-(azetidin-3-yl)-3,5,5-trimethylhexanamide

C12H24N2O — CID 66186755

IUPACN-(azetidin-3-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC1CNC1)CC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(6-12(2,3)4)5-11(15)14-10-7-13-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLNSOHWIWIFOLDY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds4

About N-(azetidin-3-yl)-3,5,5-trimethylhexanamide

N-(azetidin-3-yl)-3,5,5-trimethylhexanamide (PubChem CID 66186755) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3,5,5-trimethylhexanamide
PubChem CID66186755
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(azetidin-3-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC1CNC1)CC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(6-12(2,3)4)5-11(15)14-10-7-13-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLNSOHWIWIFOLDY-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(azetidin-3-yl)-3,5,5-trimethylhexanamide (CID 66186755) is N-(azetidin-3-yl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(azetidin-3-yl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(azetidin-3-yl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC1CNC1)CC(C)(C)C.
What is the InChIKey of N-(azetidin-3-yl)-3,5,5-trimethylhexanamide?
The InChIKey is LNSOHWIWIFOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(6-12(2,3)4)5-11(15)14-10-7-13-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(azetidin-3-yl)-3,5,5-trimethylhexanamide?
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 66186755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).