3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one

C14H25N3O — CID 146821780

IUPAC3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one
SMILESCC1CN([C@H](C)CNC2=NCCCC2)C(=O)C1C
InChIInChI=1S/C14H25N3O/c1-10-9-17(14(18)12(10)3)11(2)8-16-13-6-4-5-7-15-13/h10-12H,4-9H2,1-3H3,(H,15,16)/t10?,11-,12?/m1/s1
InChIKeyALAAJHKDNNFTAH-MOENNCHZSA-N
MW251.37 g/mol
LogP1.66
Rot. Bonds3

About 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one

3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one (PubChem CID 146821780) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one
PubChem CID146821780
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one
SMILESCC1CN([C@H](C)CNC2=NCCCC2)C(=O)C1C
InChIInChI=1S/C14H25N3O/c1-10-9-17(14(18)12(10)3)11(2)8-16-13-6-4-5-7-15-13/h10-12H,4-9H2,1-3H3,(H,15,16)/t10?,11-,12?/m1/s1
InChIKeyALAAJHKDNNFTAH-MOENNCHZSA-N
XLogP1.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

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4-Methyl-1-propyl-4-(propylamino)-5-propyliminopyrrolidin-2-one
CID 21580864
(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one
CID 22689891
(2S)-2-amino-4-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one (CID 146821780) is 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one is CC1CN([C@H](C)CNC2=NCCCC2)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one?
The InChIKey is ALAAJHKDNNFTAH-MOENNCHZSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-9-17(14(18)12(10)3)11(2)8-16-13-6-4-5-7-15-13/h10-12H,4-9H2,1-3H3,(H,15,16)/t10?,11-,12?/m1/s1.
What are the key properties of 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one?
3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(2R)-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 146821780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).