1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one

C15H28N2O — CID 114129785

IUPAC1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(CC2CCCC(C)C2)C1=O
InChIInChI=1S/C15H28N2O/c1-3-8-16-14-7-9-17(15(14)18)11-13-6-4-5-12(2)10-13/h12-14,16H,3-11H2,1-2H3
InChIKeyIPFKYZASGRIRLO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds5

About 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one

1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one (PubChem CID 114129785) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
PubChem CID114129785
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(CC2CCCC(C)C2)C1=O
InChIInChI=1S/C15H28N2O/c1-3-8-16-14-7-9-17(15(14)18)11-13-6-4-5-12(2)10-13/h12-14,16H,3-11H2,1-2H3
InChIKeyIPFKYZASGRIRLO-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
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-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 114148602
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide
CID 114175431
1-methyl-3-[(3-methylcyclopentyl)methylamino]pyrrolidin-2-one
CID 107412677
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
CID 114100312
1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one
CID 64747797
3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 106137696
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
CID 114129936
3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 119128338
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one (CID 114129785) is 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(CC2CCCC(C)C2)C1=O.
What is the InChIKey of 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one?
The InChIKey is IPFKYZASGRIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-8-16-14-7-9-17(15(14)18)11-13-6-4-5-12(2)10-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one?
1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 114129785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).