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

C9H21NO3 — CID 157049299

IUPAC(2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
SMILESCOCCOC[C@@H](C)OC[C@H](C)N
InChIInChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9+/m0/s1
InChIKeyJKCPHDAMWZLSSR-DTWKUNHWSA-N
MW191.27 g/mol
LogP0.40
Rot. Bonds8

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

(2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine (PubChem CID 157049299) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
PubChem CID157049299
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name(2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
SMILESCOCCOC[C@@H](C)OC[C@H](C)N
InChIInChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9+/m0/s1
InChIKeyJKCPHDAMWZLSSR-DTWKUNHWSA-N
XLogP0.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.40
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-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine?
The IUPAC name of (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine (CID 157049299) is (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine.
What is the SMILES notation for (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine?
The canonical SMILES for (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine is COCCOC[C@@H](C)OC[C@H](C)N.
What is the InChIKey of (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine?
The InChIKey is JKCPHDAMWZLSSR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine?
(2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine is sourced from PubChem (CID 157049299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).