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

C11H21NO2 — CID 102648095

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-4-11(2,13-3)10(12)9-7-5-6-8-14-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyMRLQOYAASACWKB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine (PubChem CID 102648095) 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-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
PubChem CID102648095
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-4-11(2,13-3)10(12)9-7-5-6-8-14-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyMRLQOYAASACWKB-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 102650063
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 102647687
2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
1-(2,3-dihydrofuran-5-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 102651812
1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylpropan-1-amine
CID 102652221
[3,4-dihydro-2H-pyran-6-yl(methoxy)methyl]-triethylsilane
CID 10014643
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248
[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine
CID 102649995
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxybutyl]hydrazine
CID 102650137

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine (CID 102648095) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine is CCC(C)(OC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine?
The InChIKey is MRLQOYAASACWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(2,13-3)10(12)9-7-5-6-8-14-9/h7,10H,4-6,8,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.82, 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-2-methylbutan-1-amine is sourced from PubChem (CID 102648095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).