(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine

C9H19NO3 — CID 163930191

IUPAC(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine
SMILESC=C(OCCOCCOC)[C@H](C)N
InChIInChI=1S/C9H19NO3/c1-8(10)9(2)13-7-6-12-5-4-11-3/h8H,2,4-7,10H2,1,3H3/t8-/m0/s1
InChIKeyRIACHWRTVGNYQG-QMMMGPOBSA-N
MW189.25 g/mol
LogP0.53
Rot. Bonds8

About (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine

(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine (PubChem CID 163930191) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine.

Molecular Properties

Compound Name(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine
PubChem CID163930191
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine
SMILESC=C(OCCOCCOC)[C@H](C)N
InChIInChI=1S/C9H19NO3/c1-8(10)9(2)13-7-6-12-5-4-11-3/h8H,2,4-7,10H2,1,3H3/t8-/m0/s1
InChIKeyRIACHWRTVGNYQG-QMMMGPOBSA-N
XLogP0.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine?
The IUPAC name of (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine (CID 163930191) is (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine.
What is the SMILES notation for (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine?
The canonical SMILES for (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine is C=C(OCCOCCOC)[C@H](C)N.
What is the InChIKey of (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine?
The InChIKey is RIACHWRTVGNYQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(10)9(2)13-7-6-12-5-4-11-3/h8H,2,4-7,10H2,1,3H3/t8-/m0/s1.
What are the key properties of (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine?
(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine has a molecular weight of 189.25 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine is sourced from PubChem (CID 163930191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).