2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide

C12H25N3O — CID 66187847

IUPAC2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)C1CNC1
InChIInChI=1S/C12H25N3O/c1-6-12(3,4)14-11(16)9(2)15(5)10-7-13-8-10/h9-10,13H,6-8H2,1-5H3,(H,14,16)
InChIKeyUMSDGDZWUGMBOC-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds5

About 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 66187847) 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-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID66187847
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)C1CNC1
InChIInChI=1S/C12H25N3O/c1-6-12(3,4)14-11(16)9(2)15(5)10-7-13-8-10/h9-10,13H,6-8H2,1-5H3,(H,14,16)
InChIKeyUMSDGDZWUGMBOC-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-pentan-2-ylpropanamide
CID 66184816
2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
CID 66188303
2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 66188069
N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63644074
2-[azetidin-3-yl(methyl)amino]propanamide
CID 66188290
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
N-(2-methylbutan-2-yl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637456
N-(2-methylbutan-2-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide
CID 61018696
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 79115626
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 66187847) is 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is UMSDGDZWUGMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-12(3,4)14-11(16)9(2)15(5)10-7-13-8-10/h9-10,13H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 5 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-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 66187847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).