5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C9H16N4O3 — CID 106969704

IUPAC5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCC2COCCO2)o1
InChIInChI=1S/C9H16N4O3/c1-6(10)8-12-13-9(16-8)11-4-7-5-14-2-3-15-7/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyXQHLAZNPLWPJCY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.08
Rot. Bonds4

About 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969704) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969704
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCC2COCCO2)o1
InChIInChI=1S/C9H16N4O3/c1-6(10)8-12-13-9(16-8)11-4-7-5-14-2-3-15-7/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyXQHLAZNPLWPJCY-UHFFFAOYSA-N
XLogP-0.08
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106960297
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
CID 106549581
5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964860
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388723

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106969704) is 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(NCC2COCCO2)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XQHLAZNPLWPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(10)8-12-13-9(16-8)11-4-7-5-14-2-3-15-7/h6-7H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 228.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).