(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one

C12H24N2O — CID 103831681

IUPAC(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C12H24N2O/c1-4-5-7-10(13)11(15)14-9-6-8-12(14,2)3/h10H,4-9,13H2,1-3H3/t10-/m0/s1
InChIKeyIDMBQSRKVGJQDB-JTQLQIEISA-N
MW212.34 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one (PubChem CID 103831681) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
PubChem CID103831681
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C12H24N2O/c1-4-5-7-10(13)11(15)14-9-6-8-12(14,2)3/h10H,4-9,13H2,1-3H3/t10-/m0/s1
InChIKeyIDMBQSRKVGJQDB-JTQLQIEISA-N
XLogP1.90
TPSA46.33 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 63217403
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one
CID 119899825
2-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]hexan-1-one
CID 107218240
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one (CID 103831681) is (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCCC1(C)C.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is IDMBQSRKVGJQDB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-7-10(13)11(15)14-9-6-8-12(14,2)3/h10H,4-9,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one?
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 103831681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).