2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide

C12H25N3O — CID 66214520

IUPAC2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)N(C)C(C)C)C1CNC1
InChIInChI=1S/C12H25N3O/c1-5-6-15(11-7-13-8-11)9-12(16)14(4)10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyNNENJJGTUVWCHT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds6

About 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide

2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 66214520) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
PubChem CID66214520
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)N(C)C(C)C)C1CNC1
InChIInChI=1S/C12H25N3O/c1-5-6-15(11-7-13-8-11)9-12(16)14(4)10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyNNENJJGTUVWCHT-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
2-[azetidin-3-yl(propyl)amino]-N-cyclohexyl-N-propan-2-ylacetamide
CID 66215693
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
CID 66214310
2-[azetidin-3-yl(propyl)amino]-N-(tert-butylcarbamoyl)acetamide
CID 66216311
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521
2-[azetidin-3-yl(ethyl)amino]-N,N-dimethylacetamide
CID 62786505
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
N-methyl-2-[piperidin-3-ylmethyl(propyl)amino]-N-propan-2-ylacetamide
CID 106640901
N-cyclopropyl-N-methyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921748
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide (CID 66214520) is 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide is CCCN(CC(=O)N(C)C(C)C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NNENJJGTUVWCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-6-15(11-7-13-8-11)9-12(16)14(4)10(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide?
2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66214520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).