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

C9H17NO — CID 116598505

IUPAC1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(N)CCC1
InChIInChI=1S/C9H17NO/c1-8(2,3)7(11)9(10)5-4-6-9/h4-6,10H2,1-3H3
InChIKeyXITUDMVASLJTSL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds1

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

1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one (PubChem CID 116598505) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
PubChem CID116598505
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(N)CCC1
InChIInChI=1S/C9H17NO/c1-8(2,3)7(11)9(10)5-4-6-9/h4-6,10H2,1-3H3
InChIKeyXITUDMVASLJTSL-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one (CID 116598505) is 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1(N)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one?
The InChIKey is XITUDMVASLJTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2,3)7(11)9(10)5-4-6-9/h4-6,10H2,1-3H3.
What are the key properties of 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one?
1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 116598505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).