[3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol

C8H17NO2 — CID 58006937

IUPAC[3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)NCC1(CO)COC1
InChIInChI=1S/C8H17NO2/c1-7(2)9-3-8(4-10)5-11-6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyQGKWXIVMVFSXLU-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.01
Rot. Bonds4

About [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol

[3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol (PubChem CID 58006937) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol
PubChem CID58006937
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)NCC1(CO)COC1
InChIInChI=1S/C8H17NO2/c1-7(2)9-3-8(4-10)5-11-6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyQGKWXIVMVFSXLU-UHFFFAOYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol (CID 58006937) is [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol is CC(C)NCC1(CO)COC1.
What is the InChIKey of [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is QGKWXIVMVFSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)9-3-8(4-10)5-11-6-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol?
[3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 159.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(propan-2-ylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 58006937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).