1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

C13H25NO2 — CID 102648105

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-5-13(6-2,15-4)12(14-3)11-9-7-8-10-16-11/h9,12,14H,5-8,10H2,1-4H3
InChIKeyJYVCDHGGOWWSST-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (PubChem CID 102648105) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
PubChem CID102648105
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-5-13(6-2,15-4)12(14-3)11-9-7-8-10-16-11/h9,12,14H,5-8,10H2,1-4H3
InChIKeyJYVCDHGGOWWSST-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

1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
CID 102647186
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
CID 102647188
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine
CID 102647216
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine
CID 102647217
1-(3,4-dihydro-2H-pyran-6-yl)-N-propylbutan-1-amine
CID 102647218
1-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647219
N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647220
N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647221
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine
CID 102647273
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethyl]propan-1-amine
CID 102647275
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propoxyethanamine
CID 102647307

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (CID 102648105) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is CCC(CC)(OC)C(NC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The InChIKey is JYVCDHGGOWWSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(6-2,15-4)12(14-3)11-9-7-8-10-16-11/h9,12,14H,5-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-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-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 102648105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).