3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol

C8H17NO3 — CID 102606135

IUPAC3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol
SMILESCNC(CCO)COC1COC1
InChIInChI=1S/C8H17NO3/c1-9-7(2-3-10)4-12-8-5-11-6-8/h7-10H,2-6H2,1H3
InChIKeyIIMHFCSLOKTOGU-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.63
Rot. Bonds6

About 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol

3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol (PubChem CID 102606135) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol
PubChem CID102606135
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol
SMILESCNC(CCO)COC1COC1
InChIInChI=1S/C8H17NO3/c1-9-7(2-3-10)4-12-8-5-11-6-8/h7-10H,2-6H2,1H3
InChIKeyIIMHFCSLOKTOGU-UHFFFAOYSA-N
XLogP-0.63
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
CID 106447159
(2R)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603359
(2S)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603358
1-cyclopentyloxy-N-methylpentan-2-amine
CID 62042118
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
CID 102606147
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
N-ethyl-3-methyl-1-(oxetan-3-yloxy)pentan-2-amine
CID 102606083
1-cyclopentyloxy-3-methoxy-N-methylpropan-2-amine
CID 107506488
2-amino-3-(oxetan-3-yloxy)propanoic acid
CID 102605330
3-(methylamino)nonan-1-ol
CID 65235222

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol?
The IUPAC name of 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol (CID 102606135) is 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol is CNC(CCO)COC1COC1.
What is the InChIKey of 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol?
The InChIKey is IIMHFCSLOKTOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-9-7(2-3-10)4-12-8-5-11-6-8/h7-10H,2-6H2,1H3.
What are the key properties of 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol?
3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol has a molecular weight of 175.23 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol is sourced from PubChem (CID 102606135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).