5-(oxolan-2-yl)-1-propoxypentan-2-amine

C12H25NO2 — CID 65164244

IUPAC5-(oxolan-2-yl)-1-propoxypentan-2-amine
SMILESCCCOCC(N)CCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-2-8-14-10-11(13)5-3-6-12-7-4-9-15-12/h11-12H,2-10,13H2,1H3
InChIKeyZSMBSNFDAAXKNO-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds8

About 5-(oxolan-2-yl)-1-propoxypentan-2-amine

5-(oxolan-2-yl)-1-propoxypentan-2-amine (PubChem CID 65164244) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1-propoxypentan-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1-propoxypentan-2-amine
PubChem CID65164244
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-(oxolan-2-yl)-1-propoxypentan-2-amine
SMILESCCCOCC(N)CCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-2-8-14-10-11(13)5-3-6-12-7-4-9-15-12/h11-12H,2-10,13H2,1H3
InChIKeyZSMBSNFDAAXKNO-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 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 ≤ 52.09
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

5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
2-tetradecyloxolane
CID 10683364
4-cyclopentyl-1-propoxybutan-2-amine
CID 105008552
1-(oxan-2-yl)nonan-3-amine
CID 115833397
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1-propoxypentan-2-amine?
The IUPAC name of 5-(oxolan-2-yl)-1-propoxypentan-2-amine (CID 65164244) is 5-(oxolan-2-yl)-1-propoxypentan-2-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-1-propoxypentan-2-amine?
The canonical SMILES for 5-(oxolan-2-yl)-1-propoxypentan-2-amine is CCCOCC(N)CCCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-yl)-1-propoxypentan-2-amine?
The InChIKey is ZSMBSNFDAAXKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-8-14-10-11(13)5-3-6-12-7-4-9-15-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 5-(oxolan-2-yl)-1-propoxypentan-2-amine?
5-(oxolan-2-yl)-1-propoxypentan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1-propoxypentan-2-amine is sourced from PubChem (CID 65164244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).