[3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol

C10H21NO2 — CID 138623331

IUPAC[3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol
SMILESCCC(CC)NCC1(CO)COC1
InChIInChI=1S/C10H21NO2/c1-3-9(4-2)11-5-10(6-12)7-13-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyVBMZCIJCOYKWLZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds6

About [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol

[3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol (PubChem CID 138623331) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol
PubChem CID138623331
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol
SMILESCCC(CC)NCC1(CO)COC1
InChIInChI=1S/C10H21NO2/c1-3-9(4-2)11-5-10(6-12)7-13-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyVBMZCIJCOYKWLZ-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol (CID 138623331) is [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol is CCC(CC)NCC1(CO)COC1.
What is the InChIKey of [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is VBMZCIJCOYKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-9(4-2)11-5-10(6-12)7-13-8-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol?
[3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(pentan-3-ylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 138623331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).