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

C11H20N2O2 — CID 106101039

IUPAC2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1=NCCCC1
InChIInChI=1S/C11H20N2O2/c1-9-11(14,5-7-15-9)8-13-10-4-2-3-6-12-10/h9,14H,2-8H2,1H3,(H,12,13)
InChIKeyNAVMQYMXUYUMEU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds2

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

2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol (PubChem CID 106101039) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
PubChem CID106101039
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1=NCCCC1
InChIInChI=1S/C11H20N2O2/c1-9-11(14,5-7-15-9)8-13-10-4-2-3-6-12-10/h9,14H,2-8H2,1H3,(H,12,13)
InChIKeyNAVMQYMXUYUMEU-UHFFFAOYSA-N
XLogP0.70
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol
CID 81130115
4-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]oxan-4-ol
CID 81130703
N-[(3-methoxyoxolan-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 104760801
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol
CID 106100551
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106100574
3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]oxolan-3-ol
CID 106100596
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
CID 106101014
2-methyl-3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]oxolan-3-ol
CID 106101059
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanimidamide
CID 106101856
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
CID 106101865
N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 106101869
N'-hydroxy-2-[1-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 106101870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol (CID 106101039) is 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol is CC1OCCC1(O)CNC1=NCCCC1.
What is the InChIKey of 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
The InChIKey is NAVMQYMXUYUMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-11(14,5-7-15-9)8-13-10-4-2-3-6-12-10/h9,14H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol?
2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol has a molecular weight of 212.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106101039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).