(2S)-1,1-dimethoxypropan-2-amine

C5H13NO2 — CID 10866318

IUPAC(2S)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)[C@H](C)N
InChIInChI=1S/C5H13NO2/c1-4(6)5(7-2)8-3/h4-5H,6H2,1-3H3/t4-/m0/s1
InChIKeyGZOKAVHTSXSLNB-BYPYZUCNSA-N
MW119.16 g/mol
LogP-0.05
Rot. Bonds3

About (2S)-1,1-dimethoxypropan-2-amine

(2S)-1,1-dimethoxypropan-2-amine (PubChem CID 10866318) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S)-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1,1-dimethoxypropan-2-amine
PubChem CID10866318
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2S)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)[C@H](C)N
InChIInChI=1S/C5H13NO2/c1-4(6)5(7-2)8-3/h4-5H,6H2,1-3H3/t4-/m0/s1
InChIKeyGZOKAVHTSXSLNB-BYPYZUCNSA-N
XLogP-0.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-dimethoxypropan-2-amine?
The IUPAC name of (2S)-1,1-dimethoxypropan-2-amine (CID 10866318) is (2S)-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for (2S)-1,1-dimethoxypropan-2-amine?
The canonical SMILES for (2S)-1,1-dimethoxypropan-2-amine is COC(OC)[C@H](C)N.
What is the InChIKey of (2S)-1,1-dimethoxypropan-2-amine?
The InChIKey is GZOKAVHTSXSLNB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(6)5(7-2)8-3/h4-5H,6H2,1-3H3/t4-/m0/s1.
What are the key properties of (2S)-1,1-dimethoxypropan-2-amine?
(2S)-1,1-dimethoxypropan-2-amine has a molecular weight of 119.16 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 10866318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).