2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine

C13H27NO2 — CID 116764745

IUPAC2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1(OC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-5-11(6-2)12(14-3)13(15-4)7-9-16-10-8-13/h11-12,14H,5-10H2,1-4H3
InChIKeyGLUXWJZVZQDPPF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds6

About 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine

2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine (PubChem CID 116764745) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
PubChem CID116764745
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1(OC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-5-11(6-2)12(14-3)13(15-4)7-9-16-10-8-13/h11-12,14H,5-10H2,1-4H3
InChIKeyGLUXWJZVZQDPPF-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762975
4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine
CID 116764854
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
CID 116765183
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764713
1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116766531
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
3-cyclopentyl-1-(4-methoxyoxan-4-yl)-N-methylpropan-1-amine
CID 114192281
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
CID 116769710
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
[1-(4-ethoxyoxan-4-yl)-2-methylbutyl]hydrazine
CID 105276914

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine (CID 116764745) is 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine is CCC(CC)C(NC)C1(OC)CCOCC1.
What is the InChIKey of 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine?
The InChIKey is GLUXWJZVZQDPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-11(6-2)12(14-3)13(15-4)7-9-16-10-8-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine?
2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 116764745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).