(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C14H26N2O — CID 106980906

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2(C(C)C)CCNC2)CC1C
InChIInChI=1S/C14H26N2O/c1-10(2)14(5-6-15-9-14)13(17)16-7-11(3)12(4)8-16/h10-12,15H,5-9H2,1-4H3
InChIKeyKLNCCVWVKZPVBD-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.74
Rot. Bonds2

About (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106980906) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106980906
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2(C(C)C)CCNC2)CC1C
InChIInChI=1S/C14H26N2O/c1-10(2)14(5-6-15-9-14)13(17)16-7-11(3)12(4)8-16/h10-12,15H,5-9H2,1-4H3
InChIKeyKLNCCVWVKZPVBD-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(3,4-dimethoxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981410
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979589
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979625

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106980906) is (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC1CN(C(=O)C2(C(C)C)CCNC2)CC1C.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is KLNCCVWVKZPVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)14(5-6-15-9-14)13(17)16-7-11(3)12(4)8-16/h10-12,15H,5-9H2,1-4H3.
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106980906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).