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

C11H21NO2 — CID 103029310

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h8,10H,4-7,12H2,1-3H3
InChIKeyKOGCUXAGXBQSIE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103029310) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103029310
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h8,10H,4-7,12H2,1-3H3
InChIKeyKOGCUXAGXBQSIE-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-5-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927958
[1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025469
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
2-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029363
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169436
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
CID 103169437
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559782
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559783
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559784
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559785

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine (CID 103029310) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is KOGCUXAGXBQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h8,10H,4-7,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-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-5-yl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103029310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).