1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one

C12H22N2O — CID 165463112

IUPAC1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CC2CC(N)C1C2
InChIInChI=1S/C12H22N2O/c1-3-4-8(2)12(15)14-7-9-5-10(13)11(14)6-9/h8-11H,3-7,13H2,1-2H3
InChIKeyNIOALGRQEAVLAI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds3

About 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one

1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one (PubChem CID 165463112) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one
PubChem CID165463112
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CC2CC(N)C1C2
InChIInChI=1S/C12H22N2O/c1-3-4-8(2)12(15)14-7-9-5-10(13)11(14)6-9/h8-11H,3-7,13H2,1-2H3
InChIKeyNIOALGRQEAVLAI-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433952
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433953
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-isopropyl-4-methylpentan-1-one
CID 44433957
1-Cyclopentanecarbonylpyrrolidin-3-amine
CID 59657950
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4-methylpentan-1-one
CID 44433946
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 16769668
N-(1-Cyclopentanecarbonylpyrrolidin-3-YL)-2-methylpropanamide
CID 53016341
(2-(Aminomethyl)-3-methylpiperidin-1-yl)(cyclobutyl)methanone
CID 64021106
4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one
CID 84597948
(2S)-2-amino-1-[4-[3-(dimethylamino)propyl]piperidin-1-yl]-3-methylbutan-1-one
CID 91647271
N-[(2S)-2-pyrrolidin-1-ylbutyl]cyclopentanecarboxamide
CID 93615581
(2S)-2-amino-1-(2,3-dimethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 121554046

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one (CID 165463112) is 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CC2CC(N)C1C2.
What is the InChIKey of 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one?
The InChIKey is NIOALGRQEAVLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-8(2)12(15)14-7-9-5-10(13)11(14)6-9/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one?
1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 165463112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).