3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol

C11H17N3O — CID 81468238

IUPAC3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(c2cnccc2N)CN1C
InChIInChI=1S/C11H17N3O/c1-8-5-11(15,7-14(8)2)9-6-13-4-3-10(9)12/h3-4,6,8,15H,5,7H2,1-2H3,(H2,12,13)
InChIKeyLBQIQSOOZHOLHB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.58
Rot. Bonds1

About 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol

3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81468238) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID81468238
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(c2cnccc2N)CN1C
InChIInChI=1S/C11H17N3O/c1-8-5-11(15,7-14(8)2)9-6-13-4-3-10(9)12/h3-4,6,8,15H,5,7H2,1-2H3,(H2,12,13)
InChIKeyLBQIQSOOZHOLHB-UHFFFAOYSA-N
XLogP0.58
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol (CID 81468238) is 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol is CC1CC(O)(c2cnccc2N)CN1C.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is LBQIQSOOZHOLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-11(15,7-14(8)2)9-6-13-4-3-10(9)12/h3-4,6,8,15H,5,7H2,1-2H3,(H2,12,13).
What are the key properties of 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol?
3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 207.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81468238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).