1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one

C12H24N2O — CID 115734691

IUPAC1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCC1CC(C)N(C(=O)CCNC(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)13-6-5-12(15)14-8-10(3)7-11(14)4/h9-11,13H,5-8H2,1-4H3
InChIKeyAKCTXZXCLRKNPS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds4

About 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one

1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 115734691) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
PubChem CID115734691
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCC1CC(C)N(C(=O)CCNC(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)13-6-5-12(15)14-8-10(3)7-11(14)4/h9-11,13H,5-8H2,1-4H3
InChIKeyAKCTXZXCLRKNPS-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5016732
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
(S)-2-amino-4-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 22690988
4-(Aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one
CID 44827665
N-cyclopentyl-3-(dimethylamino)propanamide
CID 78968663
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(1-methylpropyl)-5-oxo-
CID 3401597
1-cyclopentyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 4531782
1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17257396
1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 17257433

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one (CID 115734691) is 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one is CC1CC(C)N(C(=O)CCNC(C)C)C1.
What is the InChIKey of 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is AKCTXZXCLRKNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)13-6-5-12(15)14-8-10(3)7-11(14)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 115734691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).