2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol

C9H19NO2 — CID 104550406

IUPAC2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
SMILESCC1CCCN1CC(C)(O)CO
InChIInChI=1S/C9H19NO2/c1-8-4-3-5-10(8)6-9(2,12)7-11/h8,11-12H,3-7H2,1-2H3
InChIKeyUNYHDXDFEGLWNJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds3

About 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol

2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol (PubChem CID 104550406) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
PubChem CID104550406
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
SMILESCC1CCCN1CC(C)(O)CO
InChIInChI=1S/C9H19NO2/c1-8-4-3-5-10(8)6-9(2,12)7-11/h8,11-12H,3-7H2,1-2H3
InChIKeyUNYHDXDFEGLWNJ-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 64818955
1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768
1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 130487919
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
(2-methylpiperidin-1-yl)methanol
CID 67262865
2-methyl-2-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 104549070
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 22406539
2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130718541
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62272069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol?
The IUPAC name of 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol (CID 104550406) is 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol is CC1CCCN1CC(C)(O)CO.
What is the InChIKey of 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol?
The InChIKey is UNYHDXDFEGLWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-4-3-5-10(8)6-9(2,12)7-11/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol?
2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 104550406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).