2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol

C9H18N2O2 — CID 79503351

IUPAC2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol
SMILESCC(O)(CO)CNC1=NCCCC1
InChIInChI=1S/C9H18N2O2/c1-9(13,7-12)6-11-8-4-2-3-5-10-8/h12-13H,2-7H2,1H3,(H,10,11)
InChIKeyMYRGBSIIAWVMMQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.10
Rot. Bonds3

About 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol

2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol (PubChem CID 79503351) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol
PubChem CID79503351
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol
SMILESCC(O)(CO)CNC1=NCCCC1
InChIInChI=1S/C9H18N2O2/c1-9(13,7-12)6-11-8-4-2-3-5-10-8/h12-13H,2-7H2,1H3,(H,10,11)
InChIKeyMYRGBSIIAWVMMQ-UHFFFAOYSA-N
XLogP-0.10
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol?
The IUPAC name of 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol (CID 79503351) is 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol is CC(O)(CO)CNC1=NCCCC1.
What is the InChIKey of 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol?
The InChIKey is MYRGBSIIAWVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(13,7-12)6-11-8-4-2-3-5-10-8/h12-13H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol?
2-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol has a molecular weight of 186.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 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)propane-1,2-diol is sourced from PubChem (CID 79503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).