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

C12H25NO2 — CID 115249147

IUPAC[3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol
SMILESCCCC(C)(C)CNCC1(CO)COC1
InChIInChI=1S/C12H25NO2/c1-4-5-11(2,3)6-13-7-12(8-14)9-15-10-12/h13-14H,4-10H2,1-3H3
InChIKeyYYLGJLQHKVXGFC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds7

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

[3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol (PubChem CID 115249147) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol
PubChem CID115249147
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol
SMILESCCCC(C)(C)CNCC1(CO)COC1
InChIInChI=1S/C12H25NO2/c1-4-5-11(2,3)6-13-7-12(8-14)9-15-10-12/h13-14H,4-10H2,1-3H3
InChIKeyYYLGJLQHKVXGFC-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol (CID 115249147) is [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol is CCCC(C)(C)CNCC1(CO)COC1.
What is the InChIKey of [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is YYLGJLQHKVXGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-11(2,3)6-13-7-12(8-14)9-15-10-12/h13-14H,4-10H2,1-3H3.
What are the key properties of [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol?
[3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-dimethylpentylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).