2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol

C11H23NO3 — CID 106360962

IUPAC2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CNC1CCCC1CO
InChIInChI=1S/C11H23NO3/c1-11(7-14,8-15)6-12-10-4-2-3-9(10)5-13/h9-10,12-15H,2-8H2,1H3
InChIKeyJYLNCQBRFLJJDY-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.27
Rot. Bonds6

About 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol

2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol (PubChem CID 106360962) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
PubChem CID106360962
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CNC1CCCC1CO
InChIInChI=1S/C11H23NO3/c1-11(7-14,8-15)6-12-10-4-2-3-9(10)5-13/h9-10,12-15H,2-8H2,1H3
InChIKeyJYLNCQBRFLJJDY-UHFFFAOYSA-N
XLogP-0.27
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
CID 106360580
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methanol
CID 106359409
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
[2-[[(E)-but-2-enyl]amino]cyclopentyl]methanol
CID 106360609
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
CID 114178654
[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
CID 130608522

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol (CID 106360962) is 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol is CC(CO)(CO)CNC1CCCC1CO.
What is the InChIKey of 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is JYLNCQBRFLJJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(7-14,8-15)6-12-10-4-2-3-9(10)5-13/h9-10,12-15H,2-8H2,1H3.
What are the key properties of 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol?
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 217.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 106360962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).