1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

C13H25NO2 — CID 116758087

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(C1=COCCC1)C(C)(CC)OC
InChIInChI=1S/C13H25NO2/c1-5-13(3,15-4)12(14-6-2)11-8-7-9-16-10-11/h10,12,14H,5-9H2,1-4H3
InChIKeyMPTRYYXOKWLGLJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (PubChem CID 116758087) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
PubChem CID116758087
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(C1=COCCC1)C(C)(CC)OC
InChIInChI=1S/C13H25NO2/c1-5-13(3,15-4)12(14-6-2)11-8-7-9-16-10-11/h10,12,14H,5-9H2,1-4H3
InChIKeyMPTRYYXOKWLGLJ-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylidene-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 80173952
N-ethyl-2-methyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174410
N-ethyl-3-methyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174421
2-methyl-1-(2-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 80174715
N-ethyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174906
N-methyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80175079
3-methyl-1-(2-methyloxolan-2-yl)-N-propylbut-3-en-1-amine
CID 80175109
N-[cyclohexen-1-yl-(2-methyloxolan-2-yl)methyl]ethanamine
CID 80182302
N-[cyclohexen-1-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 80182385
2-methyl-1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
CID 80684631
N-ethyl-2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
CID 80685533
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (CID 116758087) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is CCNC(C1=COCCC1)C(C)(CC)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The InChIKey is MPTRYYXOKWLGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(3,15-4)12(14-6-2)11-8-7-9-16-10-11/h10,12,14H,5-9H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 116758087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).