[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol

C6H14N2O2 — CID 123671860

IUPAC[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol
SMILESCC1(CN)NCOC1CO
InChIInChI=1S/C6H14N2O2/c1-6(3-7)5(2-9)10-4-8-6/h5,8-9H,2-4,7H2,1H3
InChIKeyBANBVPFFFQBYJD-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.36
Rot. Bonds2

About [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol

[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 123671860) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol
PubChem CID123671860
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol
SMILESCC1(CN)NCOC1CO
InChIInChI=1S/C6H14N2O2/c1-6(3-7)5(2-9)10-4-8-6/h5,8-9H,2-4,7H2,1H3
InChIKeyBANBVPFFFQBYJD-UHFFFAOYSA-N
XLogP-1.36
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-3,3-dimethylmorpholin-2-yl]methanol
CID 129408060
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
2-(hydroxymethyl)-3,4,5-trimethyloxane-3,4,5-triol
CID 23530499
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
CID 134289608
(2-cyclopropyl-3-methyloxolan-3-yl)methanamine
CID 75481139
(3,3-diaminooxiran-2-yl)methanol
CID 174366808
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol (CID 123671860) is [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol is CC1(CN)NCOC1CO.
What is the InChIKey of [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is BANBVPFFFQBYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(3-7)5(2-9)10-4-8-6/h5,8-9H,2-4,7H2,1H3.
What are the key properties of [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol?
[4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 146.19 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 123671860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).