2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine

C11H23NO2 — CID 103074792

IUPAC2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)COC1CCOC1
InChIInChI=1S/C11H23NO2/c1-3-5-12-7-10(2)8-14-11-4-6-13-9-11/h10-12H,3-9H2,1-2H3
InChIKeyKAIAOQXKAQQXFR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds7

About 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine

2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine (PubChem CID 103074792) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
PubChem CID103074792
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)COC1CCOC1
InChIInChI=1S/C11H23NO2/c1-3-5-12-7-10(2)8-14-11-4-6-13-9-11/h10-12H,3-9H2,1-2H3
InChIKeyKAIAOQXKAQQXFR-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-Methoxyethoxy)methyl]pyrrolidine
CID 54595863
[2,2-Difluoro-3-(oxolan-3-yloxy)propyl](ethyl)amine
CID 165467343
{2,2-Difluoro-3-[(4-methyloxolan-3-yl)oxy]propyl}(methyl)amine
CID 165744880
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 28720656
N-[3-(2-ethoxyethoxy)propyl]-2-methylpropan-1-amine
CID 62445646
2-methyl-N-[3-(2-propan-2-yloxyethoxy)propyl]propan-1-amine
CID 62455594
N-ethyl-3-(1-methoxypropan-2-yloxy)propan-1-amine
CID 64042190
2-Methoxy-3-(propan-2-yloxymethyl)pyrrolidine
CID 68220273
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
N-methyl-3-[3-(2-propan-2-yloxyethoxy)propoxy]propan-1-amine
CID 156214916
N-[3-(3-butoxypropoxy)propyl]-2-methylpropan-1-amine
CID 167156448
3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine
CID 167567617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine (CID 103074792) is 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine is CCCNCC(C)COC1CCOC1.
What is the InChIKey of 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine?
The InChIKey is KAIAOQXKAQQXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-12-7-10(2)8-14-11-4-6-13-9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine?
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine is sourced from PubChem (CID 103074792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).