(2S)-1,1-dimethoxy-N-methylpropan-2-amine

C6H15NO2 — CID 11571861

IUPAC(2S)-1,1-dimethoxy-N-methylpropan-2-amine
SMILESCN[C@@H](C)C(OC)OC
InChIInChI=1S/C6H15NO2/c1-5(7-2)6(8-3)9-4/h5-7H,1-4H3/t5-/m0/s1
InChIKeyLZSYQBQWCKOQJL-YFKPBYRVSA-N
MW133.19 g/mol
LogP0.21
Rot. Bonds4

About (2S)-1,1-dimethoxy-N-methylpropan-2-amine

(2S)-1,1-dimethoxy-N-methylpropan-2-amine (PubChem CID 11571861) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (2S)-1,1-dimethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1,1-dimethoxy-N-methylpropan-2-amine
PubChem CID11571861
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(2S)-1,1-dimethoxy-N-methylpropan-2-amine
SMILESCN[C@@H](C)C(OC)OC
InChIInChI=1S/C6H15NO2/c1-5(7-2)6(8-3)9-4/h5-7H,1-4H3/t5-/m0/s1
InChIKeyLZSYQBQWCKOQJL-YFKPBYRVSA-N
XLogP0.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.21
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-dimethoxy-N-methylpropan-2-amine?
The IUPAC name of (2S)-1,1-dimethoxy-N-methylpropan-2-amine (CID 11571861) is (2S)-1,1-dimethoxy-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1,1-dimethoxy-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1,1-dimethoxy-N-methylpropan-2-amine is CN[C@@H](C)C(OC)OC.
What is the InChIKey of (2S)-1,1-dimethoxy-N-methylpropan-2-amine?
The InChIKey is LZSYQBQWCKOQJL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(7-2)6(8-3)9-4/h5-7H,1-4H3/t5-/m0/s1.
What are the key properties of (2S)-1,1-dimethoxy-N-methylpropan-2-amine?
(2S)-1,1-dimethoxy-N-methylpropan-2-amine has a molecular weight of 133.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dimethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 11571861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).