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

C11H21NO2 — CID 102648070

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine
SMILESCOC(C(C)C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-8(2)11(13-3)10(12)9-6-4-5-7-14-9/h6,8,10-11H,4-5,7,12H2,1-3H3
InChIKeyUCJIEPYXLJLNHF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.68
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine (PubChem CID 102648070) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine
PubChem CID102648070
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine
SMILESCOC(C(C)C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-8(2)11(13-3)10(12)9-6-4-5-7-14-9/h6,8,10-11H,4-5,7,12H2,1-3H3
InChIKeyUCJIEPYXLJLNHF-UHFFFAOYSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.68
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-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine (CID 102648070) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine is COC(C(C)C)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine?
The InChIKey is UCJIEPYXLJLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(13-3)10(12)9-6-4-5-7-14-9/h6,8,10-11H,4-5,7,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.68, 4 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-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 102648070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).