(2R)-2,3-dimethoxypropan-1-amine

C5H13NO2 — CID 94858066

IUPAC(2R)-2,3-dimethoxypropan-1-amine
SMILESCOC[C@@H](CN)OC
InChIInChI=1S/C5H13NO2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyXMSLJZMWPNMEGK-RXMQYKEDSA-N
MW119.16 g/mol
LogP-0.39
Rot. Bonds4

About (2R)-2,3-dimethoxypropan-1-amine

(2R)-2,3-dimethoxypropan-1-amine (PubChem CID 94858066) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2R)-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound Name(2R)-2,3-dimethoxypropan-1-amine
PubChem CID94858066
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2R)-2,3-dimethoxypropan-1-amine
SMILESCOC[C@@H](CN)OC
InChIInChI=1S/C5H13NO2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyXMSLJZMWPNMEGK-RXMQYKEDSA-N
XLogP-0.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethoxypropan-1-amine?
The IUPAC name of (2R)-2,3-dimethoxypropan-1-amine (CID 94858066) is (2R)-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for (2R)-2,3-dimethoxypropan-1-amine?
The canonical SMILES for (2R)-2,3-dimethoxypropan-1-amine is COC[C@@H](CN)OC.
What is the InChIKey of (2R)-2,3-dimethoxypropan-1-amine?
The InChIKey is XMSLJZMWPNMEGK-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2,3-dimethoxypropan-1-amine?
(2R)-2,3-dimethoxypropan-1-amine has a molecular weight of 119.16 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 94858066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).