3-[butyl(methyl)amino]cyclopentan-1-one

C10H19NO — CID 79642560

IUPAC3-[butyl(methyl)amino]cyclopentan-1-one
SMILESCCCCN(C)C1CCC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-4-7-11(2)9-5-6-10(12)8-9/h9H,3-8H2,1-2H3
InChIKeyHOLGTEMPVRKTIY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds4

About 3-[butyl(methyl)amino]cyclopentan-1-one

3-[butyl(methyl)amino]cyclopentan-1-one (PubChem CID 79642560) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[butyl(methyl)amino]cyclopentan-1-one
PubChem CID79642560
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[butyl(methyl)amino]cyclopentan-1-one
SMILESCCCCN(C)C1CCC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-4-7-11(2)9-5-6-10(12)8-9/h9H,3-8H2,1-2H3
InChIKeyHOLGTEMPVRKTIY-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[butyl(methyl)amino]cyclopentan-1-one (CID 79642560) is 3-[butyl(methyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[butyl(methyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[butyl(methyl)amino]cyclopentan-1-one is CCCCN(C)C1CCC(=O)C1.
What is the InChIKey of 3-[butyl(methyl)amino]cyclopentan-1-one?
The InChIKey is HOLGTEMPVRKTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-7-11(2)9-5-6-10(12)8-9/h9H,3-8H2,1-2H3.
What are the key properties of 3-[butyl(methyl)amino]cyclopentan-1-one?
3-[butyl(methyl)amino]cyclopentan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]cyclopentan-1-one is sourced from PubChem (CID 79642560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).