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

C10H21NO2 — CID 115248946

IUPAC[3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)(C)CNCC1(CO)COC1
InChIInChI=1S/C10H21NO2/c1-9(2,3)4-11-5-10(6-12)7-13-8-10/h11-12H,4-8H2,1-3H3
InChIKeyKYNGZMDTBWHIQS-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.63
Rot. Bonds4

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

[3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol (PubChem CID 115248946) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol
PubChem CID115248946
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)(C)CNCC1(CO)COC1
InChIInChI=1S/C10H21NO2/c1-9(2,3)4-11-5-10(6-12)7-13-8-10/h11-12H,4-8H2,1-3H3
InChIKeyKYNGZMDTBWHIQS-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-[(methylamino)methyl]propane-1,3-diol
CID 15348371
3-[(2,2-Dimethylpropyl)amino]propan-1-ol
CID 50986357
3,3-Di(hydroxymethyl)azetidine
CID 21463402
2,2-Difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol
CID 106172817
3-(3-Hydroxy-2,2-dimethyl-propylamino)-2,2-dimethyl-propan-1-ol
CID 15055101
3-(3-Hydroxypropylamino)-2,2-dimethylpropan-1-ol
CID 19354114
[3-(Methylaminomethyl)oxetan-3-yl]methanol
CID 19967731
2-(Hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol
CID 19967738
2,2-dimethylpropane-1,3-diol;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 20375150
2,2-dimethylpropane-1,3-diol;N-ethylethanamine
CID 20375151
3-[3-(Ethylamino)propoxy]propan-1-ol
CID 20655074
{3-[(Isopropylamino)methyl]oxetan-3-yl}methanol
CID 58006937

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol (CID 115248946) is [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol is CC(C)(C)CNCC1(CO)COC1.
What is the InChIKey of [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is KYNGZMDTBWHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)4-11-5-10(6-12)7-13-8-10/h11-12H,4-8H2,1-3H3.
What are the key properties of [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol?
[3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-dimethylpropylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).