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

C12H23NO2 — CID 102648084

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)C1=CCCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)11(14-4)10(13)9-7-5-6-8-15-9/h7,10-11H,5-6,8,13H2,1-4H3
InChIKeyXMLAEQFJFILQSX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.07
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 102648084) 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-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID102648084
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)C1=CCCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)11(14-4)10(13)9-7-5-6-8-15-9/h7,10-11H,5-6,8,13H2,1-4H3
InChIKeyXMLAEQFJFILQSX-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073385
2,2-Dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89205627
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
CID 142810533
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
CID 102647141
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-amine
CID 102647144
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
1-(3,4-dihydro-2H-pyran-6-yl)-N,3,3-trimethylbutan-1-amine
CID 102647452
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypropan-1-amine
CID 102647488

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 102648084) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(C(N)C1=CCCCO1)C(C)(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is XMLAEQFJFILQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)11(14-4)10(13)9-7-5-6-8-15-9/h7,10-11H,5-6,8,13H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.07, 3 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-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102648084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).