3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one

C13H24N2O — CID 104788404

IUPAC3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one
SMILESCC(C)CC(CN(C)C)NC1=CC(=O)CC1
InChIInChI=1S/C13H24N2O/c1-10(2)7-12(9-15(3)4)14-11-5-6-13(16)8-11/h8,10,12,14H,5-7,9H2,1-4H3
InChIKeyXSFAIMDGFRMXDN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds6

About 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one

3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one (PubChem CID 104788404) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one
PubChem CID104788404
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one
SMILESCC(C)CC(CN(C)C)NC1=CC(=O)CC1
InChIInChI=1S/C13H24N2O/c1-10(2)7-12(9-15(3)4)14-11-5-6-13(16)8-11/h8,10,12,14H,5-7,9H2,1-4H3
InChIKeyXSFAIMDGFRMXDN-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one (CID 104788404) is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one is CC(C)CC(CN(C)C)NC1=CC(=O)CC1.
What is the InChIKey of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one?
The InChIKey is XSFAIMDGFRMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)7-12(9-15(3)4)14-11-5-6-13(16)8-11/h8,10,12,14H,5-7,9H2,1-4H3.
What are the key properties of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one?
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).