5-[3-(oxolan-2-yl)propylamino]pentan-2-ol

C12H25NO2 — CID 107272097

IUPAC5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
SMILESCC(O)CCCNCCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-11(14)5-2-8-13-9-3-6-12-7-4-10-15-12/h11-14H,2-10H2,1H3
InChIKeyNCSNPWDKDKXURZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.70
Rot. Bonds8

About 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol

5-[3-(oxolan-2-yl)propylamino]pentan-2-ol (PubChem CID 107272097) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
PubChem CID107272097
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
SMILESCC(O)CCCNCCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-11(14)5-2-8-13-9-3-6-12-7-4-10-15-12/h11-14H,2-10H2,1H3
InChIKeyNCSNPWDKDKXURZ-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 104668425
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
The IUPAC name of 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol (CID 107272097) is 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol.
What is the SMILES notation for 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
The canonical SMILES for 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol is CC(O)CCCNCCCC1CCCO1.
What is the InChIKey of 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
The InChIKey is NCSNPWDKDKXURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(14)5-2-8-13-9-3-6-12-7-4-10-15-12/h11-14H,2-10H2,1H3.
What are the key properties of 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-2-yl)propylamino]pentan-2-ol is sourced from PubChem (CID 107272097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).