3-[bis(2-methylpropyl)amino]cyclopentan-1-one

C13H25NO — CID 79643153

IUPAC3-[bis(2-methylpropyl)amino]cyclopentan-1-one
SMILESCC(C)CN(CC(C)C)C1CCC(=O)C1
InChIInChI=1S/C13H25NO/c1-10(2)8-14(9-11(3)4)12-5-6-13(15)7-12/h10-12H,5-9H2,1-4H3
InChIKeyMFVJRSOIQGYIKJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds5

About 3-[bis(2-methylpropyl)amino]cyclopentan-1-one

3-[bis(2-methylpropyl)amino]cyclopentan-1-one (PubChem CID 79643153) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]cyclopentan-1-one
PubChem CID79643153
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[bis(2-methylpropyl)amino]cyclopentan-1-one
SMILESCC(C)CN(CC(C)C)C1CCC(=O)C1
InChIInChI=1S/C13H25NO/c1-10(2)8-14(9-11(3)4)12-5-6-13(15)7-12/h10-12H,5-9H2,1-4H3
InChIKeyMFVJRSOIQGYIKJ-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[bis(2-methylpropyl)amino]cyclopentan-1-one (CID 79643153) is 3-[bis(2-methylpropyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]cyclopentan-1-one is CC(C)CN(CC(C)C)C1CCC(=O)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]cyclopentan-1-one?
The InChIKey is MFVJRSOIQGYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)8-14(9-11(3)4)12-5-6-13(15)7-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]cyclopentan-1-one?
3-[bis(2-methylpropyl)amino]cyclopentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]cyclopentan-1-one is sourced from PubChem (CID 79643153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).