2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one

C12H21NO — CID 130948154

IUPAC2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one
SMILESCC(N(C)C1CCCC1=O)C1(C)CC1
InChIInChI=1S/C12H21NO/c1-9(12(2)7-8-12)13(3)10-5-4-6-11(10)14/h9-10H,4-8H2,1-3H3
InChIKeyBUOQBKWPUOEABH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds3

About 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one

2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one (PubChem CID 130948154) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one
PubChem CID130948154
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one
SMILESCC(N(C)C1CCCC1=O)C1(C)CC1
InChIInChI=1S/C12H21NO/c1-9(12(2)7-8-12)13(3)10-5-4-6-11(10)14/h9-10H,4-8H2,1-3H3
InChIKeyBUOQBKWPUOEABH-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one?
The IUPAC name of 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one (CID 130948154) is 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one.
What is the SMILES notation for 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one?
The canonical SMILES for 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one is CC(N(C)C1CCCC1=O)C1(C)CC1.
What is the InChIKey of 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one?
The InChIKey is BUOQBKWPUOEABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(12(2)7-8-12)13(3)10-5-4-6-11(10)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one?
2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one is sourced from PubChem (CID 130948154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).