[(2S)-1,4-dioxan-2-yl]methanamine

C5H11NO2 — CID 1133181

IUPAC[(2S)-1,4-dioxan-2-yl]methanamine
SMILESNC[C@H]1COCCO1
InChIInChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2/t5-/m0/s1
InChIKeyPREOONMJIVUPMI-YFKPBYRVSA-N
MW117.15 g/mol
LogP-0.64
Rot. Bonds1

About [(2S)-1,4-dioxan-2-yl]methanamine

[(2S)-1,4-dioxan-2-yl]methanamine (PubChem CID 1133181) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [(2S)-1,4-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1,4-dioxan-2-yl]methanamine
PubChem CID1133181
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[(2S)-1,4-dioxan-2-yl]methanamine
SMILESNC[C@H]1COCCO1
InChIInChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2/t5-/m0/s1
InChIKeyPREOONMJIVUPMI-YFKPBYRVSA-N
XLogP-0.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,4-dioxan-2-yl]methanamine?
The IUPAC name of [(2S)-1,4-dioxan-2-yl]methanamine (CID 1133181) is [(2S)-1,4-dioxan-2-yl]methanamine.
What is the SMILES notation for [(2S)-1,4-dioxan-2-yl]methanamine?
The canonical SMILES for [(2S)-1,4-dioxan-2-yl]methanamine is NC[C@H]1COCCO1.
What is the InChIKey of [(2S)-1,4-dioxan-2-yl]methanamine?
The InChIKey is PREOONMJIVUPMI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2/t5-/m0/s1.
What are the key properties of [(2S)-1,4-dioxan-2-yl]methanamine?
[(2S)-1,4-dioxan-2-yl]methanamine has a molecular weight of 117.15 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,4-dioxan-2-yl]methanamine is sourced from PubChem (CID 1133181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).