(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine

C12H27NO4 — CID 157049295

IUPAC(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
SMILESCOCCOC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N
InChIInChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1
InChIKeyJAVLCTSZYWYEEE-IJLUTSLNSA-N
MW249.35 g/mol
LogP0.81
Rot. Bonds11

About (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine

(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine (PubChem CID 157049295) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
PubChem CID157049295
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
SMILESCOCCOC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N
InChIInChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1
InChIKeyJAVLCTSZYWYEEE-IJLUTSLNSA-N
XLogP0.81
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropane
CID 118672569
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine
CID 59972165
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine;methane;yttrium
CID 159748487
1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
CID 159032271
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378
2-methoxy-1-[2-[2-[2-[2-[2-[1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]propoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 58150754
2-[2-(2-aminopropoxy)propoxy]propan-1-amine
CID 14122882
1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol
CID 22947108

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine?
The IUPAC name of (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine (CID 157049295) is (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine.
What is the SMILES notation for (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine?
The canonical SMILES for (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine is COCCOC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N.
What is the InChIKey of (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine?
The InChIKey is JAVLCTSZYWYEEE-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1.
What are the key properties of (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine?
(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 0.81, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine is sourced from PubChem (CID 157049295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).