3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one

C10H20N2O — CID 79184567

IUPAC3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C10H20N2O/c1-7(4-11)10(13)12-5-8(2)9(3)6-12/h7-9H,4-6,11H2,1-3H3
InChIKeyUUAYBNWGPQWLEZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.70
Rot. Bonds2

About 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one

3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 79184567) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID79184567
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C10H20N2O/c1-7(4-11)10(13)12-5-8(2)9(3)6-12/h7-9H,4-6,11H2,1-3H3
InChIKeyUUAYBNWGPQWLEZ-UHFFFAOYSA-N
XLogP0.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
3-amino-2-methyl-1-(6-methyl-1,4-thiazepan-4-yl)propan-1-one
CID 130933624
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one (CID 79184567) is 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one is CC(CN)C(=O)N1CC(C)C(C)C1.
What is the InChIKey of 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is UUAYBNWGPQWLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(4-11)10(13)12-5-8(2)9(3)6-12/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 79184567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).