3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one

C12H24N2O — CID 103189904

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
SMILESCCN(C(C)CN(C)C)C1CCC(=O)C1
InChIInChI=1S/C12H24N2O/c1-5-14(10(2)9-13(3)4)11-6-7-12(15)8-11/h10-11H,5-9H2,1-4H3
InChIKeyAERAXBIBVPSWAB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds5

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one

3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one (PubChem CID 103189904) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
PubChem CID103189904
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
SMILESCCN(C(C)CN(C)C)C1CCC(=O)C1
InChIInChI=1S/C12H24N2O/c1-5-14(10(2)9-13(3)4)11-6-7-12(15)8-11/h10-11H,5-9H2,1-4H3
InChIKeyAERAXBIBVPSWAB-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one (CID 103189904) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one is CCN(C(C)CN(C)C)C1CCC(=O)C1.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one?
The InChIKey is AERAXBIBVPSWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-14(10(2)9-13(3)4)11-6-7-12(15)8-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one?
3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one is sourced from PubChem (CID 103189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).