1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one

C14H27N3O — CID 58437711

IUPAC1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one
SMILESCCN1CN(C2CCC(CN(C)C)CC2)CC1=O
InChIInChI=1S/C14H27N3O/c1-4-16-11-17(10-14(16)18)13-7-5-12(6-8-13)9-15(2)3/h12-13H,4-11H2,1-3H3
InChIKeyGSPSFTVPIBGKEI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.23
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one

1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one (PubChem CID 58437711) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one
PubChem CID58437711
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one
SMILESCCN1CN(C2CCC(CN(C)C)CC2)CC1=O
InChIInChI=1S/C14H27N3O/c1-4-16-11-17(10-14(16)18)13-7-5-12(6-8-13)9-15(2)3/h12-13H,4-11H2,1-3H3
InChIKeyGSPSFTVPIBGKEI-UHFFFAOYSA-N
XLogP1.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one?
The IUPAC name of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one (CID 58437711) is 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one is CCN1CN(C2CCC(CN(C)C)CC2)CC1=O.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one?
The InChIKey is GSPSFTVPIBGKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-16-11-17(10-14(16)18)13-7-5-12(6-8-13)9-15(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one?
1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-ethylimidazolidin-4-one is sourced from PubChem (CID 58437711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).