2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one

C12H21NO — CID 130898968

IUPAC2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one
SMILESCN(C1CC(C)(C)C1)C1CCCC1=O
InChIInChI=1S/C12H21NO/c1-12(2)7-9(8-12)13(3)10-5-4-6-11(10)14/h9-10H,4-8H2,1-3H3
InChIKeyFKFNJOONCRFNAM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds2

About 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one

2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one (PubChem CID 130898968) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one
PubChem CID130898968
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one
SMILESCN(C1CC(C)(C)C1)C1CCCC1=O
InChIInChI=1S/C12H21NO/c1-12(2)7-9(8-12)13(3)10-5-4-6-11(10)14/h9-10H,4-8H2,1-3H3
InChIKeyFKFNJOONCRFNAM-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one?
The IUPAC name of 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one (CID 130898968) is 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one.
What is the SMILES notation for 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one?
The canonical SMILES for 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one is CN(C1CC(C)(C)C1)C1CCCC1=O.
What is the InChIKey of 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one?
The InChIKey is FKFNJOONCRFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2)7-9(8-12)13(3)10-5-4-6-11(10)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one?
2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one is sourced from PubChem (CID 130898968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).