1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine

C8H17NO2 — CID 91307380

IUPAC1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine
SMILESCC(N)C1COC(C)(C)OC1
InChIInChI=1S/C8H17NO2/c1-6(9)7-4-10-8(2,3)11-5-7/h6-7H,4-5,9H2,1-3H3
InChIKeyDNGAVSNHVLHNGB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds1

About 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine

1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine (PubChem CID 91307380) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine
PubChem CID91307380
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine
SMILESCC(N)C1COC(C)(C)OC1
InChIInChI=1S/C8H17NO2/c1-6(9)7-4-10-8(2,3)11-5-7/h6-7H,4-5,9H2,1-3H3
InChIKeyDNGAVSNHVLHNGB-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine (CID 91307380) is 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine is CC(N)C1COC(C)(C)OC1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine?
The InChIKey is DNGAVSNHVLHNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(9)7-4-10-8(2,3)11-5-7/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine?
1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine is sourced from PubChem (CID 91307380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).