(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine

C10H23NO3 — CID 44620960

IUPAC(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine
SMILESCOCCOC[C@@H](C)COC[C@H](C)N
InChIInChI=1S/C10H23NO3/c1-9(6-13-5-4-12-3)7-14-8-10(2)11/h9-10H,4-8,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyZLTQYKCRSAAZMB-ZJUUUORDSA-N
MW205.30 g/mol
LogP0.65
Rot. Bonds9

About (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine

(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine (PubChem CID 44620960) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine
PubChem CID44620960
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine
SMILESCOCCOC[C@@H](C)COC[C@H](C)N
InChIInChI=1S/C10H23NO3/c1-9(6-13-5-4-12-3)7-14-8-10(2)11/h9-10H,4-8,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyZLTQYKCRSAAZMB-ZJUUUORDSA-N
XLogP0.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine?
The IUPAC name of (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine (CID 44620960) is (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine is COCCOC[C@@H](C)COC[C@H](C)N.
What is the InChIKey of (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine?
The InChIKey is ZLTQYKCRSAAZMB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(6-13-5-4-12-3)7-14-8-10(2)11/h9-10H,4-8,11H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine?
(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methylpropoxy]propan-2-amine is sourced from PubChem (CID 44620960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).