1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one

C12H23N3O — CID 83117457

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one
SMILESCN(C)C1(CN2CCCNC2=O)CCCC1
InChIInChI=1S/C12H23N3O/c1-14(2)12(6-3-4-7-12)10-15-9-5-8-13-11(15)16/h3-10H2,1-2H3,(H,13,16)
InChIKeyJDTKDARMZZOMOH-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.28
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one

1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one (PubChem CID 83117457) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one
PubChem CID83117457
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one
SMILESCN(C)C1(CN2CCCNC2=O)CCCC1
InChIInChI=1S/C12H23N3O/c1-14(2)12(6-3-4-7-12)10-15-9-5-8-13-11(15)16/h3-10H2,1-2H3,(H,13,16)
InChIKeyJDTKDARMZZOMOH-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one (CID 83117457) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one is CN(C)C1(CN2CCCNC2=O)CCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one?
The InChIKey is JDTKDARMZZOMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(2)12(6-3-4-7-12)10-15-9-5-8-13-11(15)16/h3-10H2,1-2H3,(H,13,16).
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one?
1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one has a molecular weight of 225.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 83117457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).