3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol

C10H18N2O2 — CID 106100574

IUPAC3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2=NCCCC2)CCOC1
InChIInChI=1S/C10H18N2O2/c13-10(4-6-14-8-10)7-12-9-3-1-2-5-11-9/h13H,1-8H2,(H,11,12)
InChIKeyUMBTVHPROUPVFV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds2

About 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol

3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol (PubChem CID 106100574) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
PubChem CID106100574
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2=NCCCC2)CCOC1
InChIInChI=1S/C10H18N2O2/c13-10(4-6-14-8-10)7-12-9-3-1-2-5-11-9/h13H,1-8H2,(H,11,12)
InChIKeyUMBTVHPROUPVFV-UHFFFAOYSA-N
XLogP0.31
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol (CID 106100574) is 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol is OC1(CNC2=NCCCC2)CCOC1.
What is the InChIKey of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
The InChIKey is UMBTVHPROUPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(4-6-14-8-10)7-12-9-3-1-2-5-11-9/h13H,1-8H2,(H,11,12).
What are the key properties of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol has a molecular weight of 198.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).