[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol

C13H27NO2 — CID 115249148

IUPAC[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)CC(C)(C)CNCC1(CO)COC1
InChIInChI=1S/C13H27NO2/c1-11(2)5-12(3,4)6-14-7-13(8-15)9-16-10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyDPVJXHDZMRAEHS-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.66
Rot. Bonds7

About [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol

[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol (PubChem CID 115249148) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol
PubChem CID115249148
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)CC(C)(C)CNCC1(CO)COC1
InChIInChI=1S/C13H27NO2/c1-11(2)5-12(3,4)6-14-7-13(8-15)9-16-10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyDPVJXHDZMRAEHS-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2,4-trimethylpentylamino)methyl]oxetane-3-carboxylic acid
CID 115248567
[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249052
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115454323
[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
CID 115249172
[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol
CID 115249158
[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
CID 115243777
1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
CID 114493450
[3-[(cyclobutylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249008
[3-[(cyclopentylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249002
[3-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentylethyl]amino]methyl]oxetan-3-yl]methanol
CID 167809144
4-(2,2,4-trimethylpentylamino)butanoic acid
CID 115218817
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol (CID 115249148) is [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol is CC(C)CC(C)(C)CNCC1(CO)COC1.
What is the InChIKey of [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is DPVJXHDZMRAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)5-12(3,4)6-14-7-13(8-15)9-16-10-13/h11,14-15H,5-10H2,1-4H3.
What are the key properties of [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol?
[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).