5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol

C16H27N3O3 — CID 74578427

IUPAC5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
SMILESCN(C)CC1OC(CO)C(O)C1N(C)CCc1ccccn1
InChIInChI=1S/C16H27N3O3/c1-18(2)10-13-15(16(21)14(11-20)22-13)19(3)9-7-12-6-4-5-8-17-12/h4-6,8,13-16,20-21H,7,9-11H2,1-3H3
InChIKeyCTEHWCINJVSWPQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.39
Rot. Bonds7

About 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol

5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol (PubChem CID 74578427) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
PubChem CID74578427
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
SMILESCN(C)CC1OC(CO)C(O)C1N(C)CCc1ccccn1
InChIInChI=1S/C16H27N3O3/c1-18(2)10-13-15(16(21)14(11-20)22-13)19(3)9-7-12-6-4-5-8-17-12/h4-6,8,13-16,20-21H,7,9-11H2,1-3H3
InChIKeyCTEHWCINJVSWPQ-UHFFFAOYSA-N
XLogP-0.39
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 74577760
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 74578383
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
CID 28962296
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]-3-phenylurea;dihydrochloride
CID 146118897
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 74578397
3-chloro-4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 28962252
(2S,3S,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 162796954
(2S,3S,4S,5R)-5-[(cyclohexylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 162874255
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol
CID 22209731
(2S,3S,4R,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol;dihydrochloride
CID 146118553
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol (CID 74578427) is 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol is CN(C)CC1OC(CO)C(O)C1N(C)CCc1ccccn1.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol?
The InChIKey is CTEHWCINJVSWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-18(2)10-13-15(16(21)14(11-20)22-13)19(3)9-7-12-6-4-5-8-17-12/h4-6,8,13-16,20-21H,7,9-11H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol?
5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol has a molecular weight of 309.41 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol is sourced from PubChem (CID 74578427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).