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

C12H23NO2 — CID 102648063

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
SMILESCCCC(OCC)C(N)C1=CCCCO1
InChIInChI=1S/C12H23NO2/c1-3-7-10(14-4-2)12(13)11-8-5-6-9-15-11/h8,10,12H,3-7,9,13H2,1-2H3
InChIKeyCUMLJLWSRSUXPH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.21
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine (PubChem CID 102648063) 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-ethoxypentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
PubChem CID102648063
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
SMILESCCCC(OCC)C(N)C1=CCCCO1
InChIInChI=1S/C12H23NO2/c1-3-7-10(14-4-2)12(13)11-8-5-6-9-15-11/h8,10,12H,3-7,9,13H2,1-2H3
InChIKeyCUMLJLWSRSUXPH-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
CID 102654880
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 102648088
[1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropyl]hydrazine
CID 102650337
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
CID 102648095

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine (CID 102648063) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine is CCCC(OCC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine?
The InChIKey is CUMLJLWSRSUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-7-10(14-4-2)12(13)11-8-5-6-9-15-11/h8,10,12H,3-7,9,13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.21, 6 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-ethoxypentan-1-amine is sourced from PubChem (CID 102648063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).