2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide

C12H25N3O — CID 66184816

IUPAC2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)C1CNC1
InChIInChI=1S/C12H25N3O/c1-5-6-9(2)14-12(16)10(3)15(4)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyYIMHAXVYOLKPQG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds6

About 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide

2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide (PubChem CID 66184816) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
PubChem CID66184816
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)C1CNC1
InChIInChI=1S/C12H25N3O/c1-5-6-9(2)14-12(16)10(3)15(4)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyYIMHAXVYOLKPQG-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 66188069
2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
CID 66181522
2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
CID 66188303
2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
2-[azetidin-3-yl(methyl)amino]propanamide
CID 66188290
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160
2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
N-butan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304037
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide (CID 66184816) is 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is YIMHAXVYOLKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-6-9(2)14-12(16)10(3)15(4)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide?
2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 66184816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).