1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one

C15H28N2O — CID 115275751

IUPAC1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
SMILESCC1(C)CC(N)CN1C(=O)CCCC1CCCC1
InChIInChI=1S/C15H28N2O/c1-15(2)10-13(16)11-17(15)14(18)9-5-8-12-6-3-4-7-12/h12-13H,3-11,16H2,1-2H3
InChIKeyWLWUHYLWACCWFG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.69
Rot. Bonds4

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

1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one (PubChem CID 115275751) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
PubChem CID115275751
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
SMILESCC1(C)CC(N)CN1C(=O)CCCC1CCCC1
InChIInChI=1S/C15H28N2O/c1-15(2)10-13(16)11-17(15)14(18)9-5-8-12-6-3-4-7-12/h12-13H,3-11,16H2,1-2H3
InChIKeyWLWUHYLWACCWFG-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
CID 115276179
1-(4-amino-2,2-dimethylpiperidin-1-yl)-2-cyclopentylethanone
CID 115276154
1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115276919
1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
CID 115276326
1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 83699578
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-(2-bromophenyl)butan-1-one
CID 115275754
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
5-cyclopentylpentan-2-one
CID 18433881
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-cyclopentylbutan-1-one;hydrochloride
CID 120805428
1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 83696910
4-amino-N-cyclohexyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269134

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one?
The IUPAC name of 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one (CID 115275751) is 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one.
What is the SMILES notation for 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one?
The canonical SMILES for 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one is CC1(C)CC(N)CN1C(=O)CCCC1CCCC1.
What is the InChIKey of 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one?
The InChIKey is WLWUHYLWACCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)10-13(16)11-17(15)14(18)9-5-8-12-6-3-4-7-12/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one?
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one is sourced from PubChem (CID 115275751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).