1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine

C12H23NO2 — CID 102648074

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)C1=CCCCO1
InChIInChI=1S/C12H23NO2/c1-4-14-12(9(2)3)11(13)10-7-5-6-8-15-10/h7,9,11-12H,4-6,8,13H2,1-3H3
InChIKeyMWUGYTPEZPIPRV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.07
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine (PubChem CID 102648074) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine
PubChem CID102648074
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)C1=CCCCO1
InChIInChI=1S/C12H23NO2/c1-4-14-12(9(2)3)11(13)10-7-5-6-8-15-10/h7,9,11-12H,4-6,8,13H2,1-3H3
InChIKeyMWUGYTPEZPIPRV-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
CID 102647132
1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
CID 102647141
cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647142
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
CID 102647186
1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
CID 102647276
1-(3,4-dihydro-2H-pyran-6-yl)-2-propoxyethanamine
CID 102647306
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-amine
CID 102647444
1-(3,4-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-1-amine
CID 102647451

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine (CID 102648074) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine is CCOC(C(C)C)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine?
The InChIKey is MWUGYTPEZPIPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-14-12(9(2)3)11(13)10-7-5-6-8-15-10/h7,9,11-12H,4-6,8,13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.07, 5 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-ethoxy-3-methylbutan-1-amine is sourced from PubChem (CID 102648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).