1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine

C10H17NO3 — CID 103544151

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
SMILESNC(CC1OCCO1)C1=COCCC1
InChIInChI=1S/C10H17NO3/c11-9(6-10-13-4-5-14-10)8-2-1-3-12-7-8/h7,9-10H,1-6,11H2
InChIKeyPYAJPEDNVPTORN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.77
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine (PubChem CID 103544151) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
PubChem CID103544151
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
SMILESNC(CC1OCCO1)C1=COCCC1
InChIInChI=1S/C10H17NO3/c11-9(6-10-13-4-5-14-10)8-2-1-3-12-7-8/h7,9-10H,1-6,11H2
InChIKeyPYAJPEDNVPTORN-UHFFFAOYSA-N
XLogP0.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 105179419
1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115831545
1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine
CID 130579422
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105033152
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfanylethyl]hydrazine
CID 105213767
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 164659731
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanol
CID 115831607
3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
CID 105033479
1-(2,3-dihydrofuran-4-yl)-2-(oxolan-2-yl)ethanol
CID 130580079

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine (CID 103544151) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine is NC(CC1OCCO1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine?
The InChIKey is PYAJPEDNVPTORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c11-9(6-10-13-4-5-14-10)8-2-1-3-12-7-8/h7,9-10H,1-6,11H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine is sourced from PubChem (CID 103544151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).