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

C13H27NO2 — CID 114856946

IUPACN-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
SMILESCCNC(CCCOC)CC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-3-14-12(7-6-9-15-2)11-13-8-4-5-10-16-13/h12-14H,3-11H2,1-2H3
InChIKeyFEACCWVYRAKSSD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds8

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

N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine (PubChem CID 114856946) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
PubChem CID114856946
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
SMILESCCNC(CCCOC)CC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-3-14-12(7-6-9-15-2)11-13-8-4-5-10-16-13/h12-14H,3-11H2,1-2H3
InChIKeyFEACCWVYRAKSSD-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
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-(oxolan-2-yl)pentan-2-amine
CID 62602456
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-(oxan-2-yl)hept-5-yn-2-amine
CID 104807453
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-5-methoxy-1-(thian-4-yl)pentan-2-amine
CID 105190341
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-ethyl-1-(oxan-2-ylmethoxy)butan-2-amine
CID 62040627
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine (CID 114856946) is N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine is CCNC(CCCOC)CC1CCCCO1.
What is the InChIKey of N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine?
The InChIKey is FEACCWVYRAKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-14-12(7-6-9-15-2)11-13-8-4-5-10-16-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine?
N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 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-(oxan-2-yl)pentan-2-amine is sourced from PubChem (CID 114856946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).