1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine

C12H21NO2 — CID 105033281

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)C1=COCCC1
InChIInChI=1S/C12H21NO2/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h9,11-12H,1-8,13H2
InChIKeyYSWALQXTAMAEHD-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 105033281) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID105033281
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)C1=COCCC1
InChIInChI=1S/C12H21NO2/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h9,11-12H,1-8,13H2
InChIKeyYSWALQXTAMAEHD-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclohexen-1-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65156794
3-Methylidene-1-(oxolan-2-yl)pentan-1-amine
CID 66037574
3-Methyl-1-(oxolan-2-yl)but-3-en-1-amine
CID 79186061
3-Methyl-1-(oxolan-2-yl)but-3-en-2-amine
CID 79190167
1-(3,4-dihydro-2H-pyran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 104058526
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-amine
CID 104058539
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 104058583
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 104058584
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxypropan-1-amine
CID 104058661
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropan-1-amine
CID 104058889
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxybutan-1-amine
CID 104058908
3,4-dihydro-2H-pyran-5-yl(oxolan-2-yl)methanamine
CID 104058953

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine (CID 105033281) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine is NC(CCC1CCCO1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is YSWALQXTAMAEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h9,11-12H,1-8,13H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.97, 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-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 105033281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).