1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one

C9H17NO — CID 116917647

IUPAC1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC(N)C1
InChIInChI=1S/C9H17NO/c1-9(2,3)8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3
InChIKeyKJUZDGNBOTXPKQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.34
Rot. Bonds1

About 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one

1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one (PubChem CID 116917647) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
PubChem CID116917647
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC(N)C1
InChIInChI=1S/C9H17NO/c1-9(2,3)8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3
InChIKeyKJUZDGNBOTXPKQ-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
1-(3-aminocyclobutyl)butan-1-one
CID 116917645
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one
CID 163399683
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide
CID 115267744
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
2,2-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]propan-1-one
CID 139428026

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one (CID 116917647) is 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC(N)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one?
The InChIKey is KJUZDGNBOTXPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one?
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 116917647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).