2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

C12H25NO2 — CID 104668685

IUPAC2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCOC(C)(C)CNCCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)10-13-8-4-6-11-7-5-9-15-11/h11,13H,4-10H2,1-3H3
InChIKeyUKXMXQFCFNXXDY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (PubChem CID 104668685) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
PubChem CID104668685
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCOC(C)(C)CNCCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)10-13-8-4-6-11-7-5-9-15-11/h11,13H,4-10H2,1-3H3
InChIKeyUKXMXQFCFNXXDY-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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

2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 114942090
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63952546
[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 103025357
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (CID 104668685) is 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is COC(C)(C)CNCCCC1CCCO1.
What is the InChIKey of 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The InChIKey is UKXMXQFCFNXXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14-3)10-13-8-4-6-11-7-5-9-15-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 104668685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).