2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

C12H24N2O — CID 43083652

IUPAC2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCC(C)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-4-7-10(2)13-11(3)12(15)14-8-5-6-9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyGIVYFXNWLVYUNL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds5

About 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43083652) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43083652
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCC(C)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-4-7-10(2)13-11(3)12(15)14-8-5-6-9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyGIVYFXNWLVYUNL-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54958720
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43083652) is 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is CCCC(C)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GIVYFXNWLVYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-10(2)13-11(3)12(15)14-8-5-6-9-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43083652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).