N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine

C12H25NO2 — CID 62602456

IUPACN-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCOC)CC1CCCO1
InChIInChI=1S/C12H25NO2/c1-3-13-11(6-4-8-14-2)10-12-7-5-9-15-12/h11-13H,3-10H2,1-2H3
InChIKeyOSEPUZAOVAEWEH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds8

About N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine

N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine (PubChem CID 62602456) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
PubChem CID62602456
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCOC)CC1CCCO1
InChIInChI=1S/C12H25NO2/c1-3-13-11(6-4-8-14-2)10-12-7-5-9-15-12/h11-13H,3-10H2,1-2H3
InChIKeyOSEPUZAOVAEWEH-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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

N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
CID 114856946
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
CID 105190341
N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807453
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine (CID 62602456) is N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine is CCNC(CCCOC)CC1CCCO1.
What is the InChIKey of N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine?
The InChIKey is OSEPUZAOVAEWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-13-11(6-4-8-14-2)10-12-7-5-9-15-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine?
N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 62602456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).