2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol

C13H27NO2 — CID 104668588

IUPAC2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-8-13(2,15)11-14-9-4-6-12-7-5-10-16-12/h12,14-15H,3-11H2,1-2H3
InChIKeyIDUTWTHOZNREQF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds8

About 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol

2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol (PubChem CID 104668588) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
PubChem CID104668588
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-8-13(2,15)11-14-9-4-6-12-7-5-10-16-12/h12,14-15H,3-11H2,1-2H3
InChIKeyIDUTWTHOZNREQF-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
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

2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 114942090
N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
CID 66336545
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63952546
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol (CID 104668588) is 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol is CCCC(C)(O)CNCCCC1CCCO1.
What is the InChIKey of 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
The InChIKey is IDUTWTHOZNREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-8-13(2,15)11-14-9-4-6-12-7-5-10-16-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol?
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol is sourced from PubChem (CID 104668588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).