3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H23NO2 — CID 105033499

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)C2=COCCC2)C1C
InChIInChI=1S/C13H23NO2/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h7-10,12-13H,4-6,14H2,1-3H3
InChIKeyFGEBLFJOTLBXFW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.07
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105033499) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105033499
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)C2=COCCC2)C1C
InChIInChI=1S/C13H23NO2/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h7-10,12-13H,4-6,14H2,1-3H3
InChIKeyFGEBLFJOTLBXFW-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
Cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79760222
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169436
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559785
4-Methylidene-1-(oxolan-3-yl)hexan-2-amine
CID 103986630
3-Methyl-1-(oxolan-3-yl)but-3-en-2-amine
CID 103986776
4-Methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986846
1-(3,4-dihydro-2H-pyran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 104058526
1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-amine
CID 104058527
cyclopentyl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 104058635

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105033499) is 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)C2=COCCC2)C1C.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is FGEBLFJOTLBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h7-10,12-13H,4-6,14H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105033499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).