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

C12H23NO — CID 62612200

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCC(C)N(CC)CC1CCCC1=O
InChIInChI=1S/C12H23NO/c1-4-10(3)13(5-2)9-11-7-6-8-12(11)14/h10-11H,4-9H2,1-3H3
InChIKeyOETCCJVWZIQPFD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds5

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

2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one (PubChem CID 62612200) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one
PubChem CID62612200
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCC(C)N(CC)CC1CCCC1=O
InChIInChI=1S/C12H23NO/c1-4-10(3)13(5-2)9-11-7-6-8-12(11)14/h10-11H,4-9H2,1-3H3
InChIKeyOETCCJVWZIQPFD-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one (CID 62612200) is 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one is CCC(C)N(CC)CC1CCCC1=O.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is OETCCJVWZIQPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(3)13(5-2)9-11-7-6-8-12(11)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one?
2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62612200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).