N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine

C12H25NO2 — CID 62717870

IUPACN-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCCOC)CCOC1
InChIInChI=1S/C12H25NO2/c1-3-7-13-10-12(5-4-8-14-2)6-9-15-11-12/h13H,3-11H2,1-2H3
InChIKeyAMIQFTVBQZHWBZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds8

About N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62717870) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62717870
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCCOC)CCOC1
InChIInChI=1S/C12H25NO2/c1-3-7-13-10-12(5-4-8-14-2)6-9-15-11-12/h13H,3-11H2,1-2H3
InChIKeyAMIQFTVBQZHWBZ-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine (CID 62717870) is N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCCOC)CCOC1.
What is the InChIKey of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is AMIQFTVBQZHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-7-13-10-12(5-4-8-14-2)6-9-15-11-12/h13H,3-11H2,1-2H3.
What are the key properties of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62717870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).