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

C13H25NO2 — CID 102648087

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)C1=CCCCO1)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-15-12(13(2,3)4)11(14)10-8-6-7-9-16-10/h8,11-12H,5-7,9,14H2,1-4H3
InChIKeyRWRCFPQSKAUSDF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.46
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 102648087) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID102648087
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)C1=CCCCO1)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-15-12(13(2,3)4)11(14)10-8-6-7-9-16-10/h8,11-12H,5-7,9,14H2,1-4H3
InChIKeyRWRCFPQSKAUSDF-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.46
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-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine (CID 102648087) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine is CCOC(C(N)C1=CCCCO1)C(C)(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is RWRCFPQSKAUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-15-12(13(2,3)4)11(14)10-8-6-7-9-16-10/h8,11-12H,5-7,9,14H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.46, 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-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102648087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).