(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine

C9H19NO2 — CID 163816694

IUPAC(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine
SMILESC=C[C@H](CN(C)C)OCCOC
InChIInChI=1S/C9H19NO2/c1-5-9(8-10(2)3)12-7-6-11-4/h5,9H,1,6-8H2,2-4H3/t9-/m1/s1
InChIKeyNRYHQUJGKYYXMY-SECBINFHSA-N
MW173.26 g/mol
LogP0.77
Rot. Bonds7

About (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine

(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine (PubChem CID 163816694) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine
PubChem CID163816694
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine
SMILESC=C[C@H](CN(C)C)OCCOC
InChIInChI=1S/C9H19NO2/c1-5-9(8-10(2)3)12-7-6-11-4/h5,9H,1,6-8H2,2-4H3/t9-/m1/s1
InChIKeyNRYHQUJGKYYXMY-SECBINFHSA-N
XLogP0.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine (CID 163816694) is (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine is C=C[C@H](CN(C)C)OCCOC.
What is the InChIKey of (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine?
The InChIKey is NRYHQUJGKYYXMY-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(8-10(2)3)12-7-6-11-4/h5,9H,1,6-8H2,2-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine?
(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 163816694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).