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

C12H25NO2 — CID 104626329

IUPAC1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
SMILESCOCC(C)NCCCC1CCCCO1
InChIInChI=1S/C12H25NO2/c1-11(10-14-2)13-8-5-7-12-6-3-4-9-15-12/h11-13H,3-10H2,1-2H3
InChIKeyXNRPCAWSLJZGCG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

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

1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine (PubChem CID 104626329) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
PubChem CID104626329
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
SMILESCOCC(C)NCCCC1CCCCO1
InChIInChI=1S/C12H25NO2/c1-11(10-14-2)13-8-5-7-12-6-3-4-9-15-12/h11-13H,3-10H2,1-2H3
InChIKeyXNRPCAWSLJZGCG-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

1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide
CID 103983559

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine (CID 104626329) is 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine is COCC(C)NCCCC1CCCCO1.
What is the InChIKey of 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine?
The InChIKey is XNRPCAWSLJZGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(10-14-2)13-8-5-7-12-6-3-4-9-15-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine?
1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-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 1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 104626329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).