(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine

C8H19NO3 — CID 102416894

IUPAC(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
SMILESCOCCOCCO[C@@H](C)CN
InChIInChI=1S/C8H19NO3/c1-8(7-9)12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyXXEJNINSPKLXIG-QMMMGPOBSA-N
MW177.24 g/mol
LogP0.01
Rot. Bonds8

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

(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine (PubChem CID 102416894) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
PubChem CID102416894
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
SMILESCOCCOCCO[C@@H](C)CN
InChIInChI=1S/C8H19NO3/c1-8(7-9)12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyXXEJNINSPKLXIG-QMMMGPOBSA-N
XLogP0.01
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.01
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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Related Compounds

2-[2-(3-methoxypropoxy)ethoxy]propan-1-amine
CID 103175854
2-(2-propoxyethoxy)propan-1-amine
CID 63686172
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
3-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine?
The IUPAC name of (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine (CID 102416894) is (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine.
What is the SMILES notation for (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine?
The canonical SMILES for (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine is COCCOCCO[C@@H](C)CN.
What is the InChIKey of (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine?
The InChIKey is XXEJNINSPKLXIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO3/c1-8(7-9)12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine?
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine is sourced from PubChem (CID 102416894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).