5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol

C12H22N4O — CID 66053958

IUPAC5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol
SMILESCCn1ccnc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H22N4O/c1-4-15-6-5-13-12(15)16-9-11(17)7-10(16)8-14(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyCFRGZZPFFIXDGG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.40
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol (PubChem CID 66053958) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol
PubChem CID66053958
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol
SMILESCCn1ccnc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H22N4O/c1-4-15-6-5-13-12(15)16-9-11(17)7-10(16)8-14(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyCFRGZZPFFIXDGG-UHFFFAOYSA-N
XLogP0.40
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol (CID 66053958) is 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol is CCn1ccnc1N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol?
The InChIKey is CFRGZZPFFIXDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-15-6-5-13-12(15)16-9-11(17)7-10(16)8-14(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol has a molecular weight of 238.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 66053958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).