3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one

C14H28N2O — CID 114100312

IUPAC3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
SMILESCCCNC1CCN(CC(C)(C)C(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-6-8-15-12-7-9-16(13(12)17)10-14(4,5)11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyBVRSFMNESYTVLO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds6

About 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one

3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one (PubChem CID 114100312) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
PubChem CID114100312
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
SMILESCCCNC1CCN(CC(C)(C)C(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-6-8-15-12-7-9-16(13(12)17)10-14(4,5)11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyBVRSFMNESYTVLO-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766
3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
CID 115366236
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide
CID 114175431
1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 54973475
1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 114129785
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 106106502
1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 62308222
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one?
The IUPAC name of 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one (CID 114100312) is 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one?
The canonical SMILES for 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one is CCCNC1CCN(CC(C)(C)C(C)C)C1=O.
What is the InChIKey of 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one?
The InChIKey is BVRSFMNESYTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-8-15-12-7-9-16(13(12)17)10-14(4,5)11(2)3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one?
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 114100312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).