1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one

C12H24N2O — CID 63767295

IUPAC1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC1CCCN
InChIInChI=1S/C12H24N2O/c1-2-3-8-12(15)14-10-5-7-11(14)6-4-9-13/h11H,2-10,13H2,1H3
InChIKeyXCYIFDBTHAKECV-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one

1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 63767295) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID63767295
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC1CCCN
InChIInChI=1S/C12H24N2O/c1-2-3-8-12(15)14-10-5-7-11(14)6-4-9-13/h11H,2-10,13H2,1H3
InChIKeyXCYIFDBTHAKECV-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
1-[2-(3-chloropropyl)pyrrolidin-1-yl]hexan-1-one
CID 63395936
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
1-[2-(bromomethyl)pyrrolidin-1-yl]hexan-1-one
CID 80678062
1-[2-(2-oxopropyl)pyrrolidin-1-yl]hexan-1-one
CID 79540345
butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
CID 142779221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one (CID 63767295) is 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one is CCCCC(=O)N1CCCC1CCCN.
What is the InChIKey of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is XCYIFDBTHAKECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-8-12(15)14-10-5-7-11(14)6-4-9-13/h11H,2-10,13H2,1H3.
What are the key properties of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one?
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 63767295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).