N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine

C11H23NO2 — CID 176757767

IUPACN-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
SMILESCN(CCCOC(C)(C)C)C1COC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-7-5-6-12(4)10-8-13-9-10/h10H,5-9H2,1-4H3
InChIKeyUXVSNKLUDAUCHX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.52
Rot. Bonds5

About N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine

N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine (PubChem CID 176757767) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
PubChem CID176757767
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
SMILESCN(CCCOC(C)(C)C)C1COC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-7-5-6-12(4)10-8-13-9-10/h10H,5-9H2,1-4H3
InChIKeyUXVSNKLUDAUCHX-UHFFFAOYSA-N
XLogP1.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine?
The IUPAC name of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine (CID 176757767) is N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine.
What is the SMILES notation for N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine?
The canonical SMILES for N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine is CN(CCCOC(C)(C)C)C1COC1.
What is the InChIKey of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine?
The InChIKey is UXVSNKLUDAUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)14-7-5-6-12(4)10-8-13-9-10/h10H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine?
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine has a molecular weight of 201.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine is sourced from PubChem (CID 176757767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).