4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine

C9H17NO2 — CID 5157700

IUPAC4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine
SMILESCOCCOCC#CCN(C)C
InChIInChI=1S/C9H17NO2/c1-10(2)6-4-5-7-12-9-8-11-3/h6-9H2,1-3H3
InChIKeyVGWNAONWFUTXSL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.21
Rot. Bonds5

About 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine

4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine (PubChem CID 5157700) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine
PubChem CID5157700
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine
SMILESCOCCOCC#CCN(C)C
InChIInChI=1S/C9H17NO2/c1-10(2)6-4-5-7-12-9-8-11-3/h6-9H2,1-3H3
InChIKeyVGWNAONWFUTXSL-UHFFFAOYSA-N
XLogP0.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-N,N-dimethylmethanamine
CID 87415200
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
CID 165382525
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
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
1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne
CID 134887594
N,N-dimethylpropan-1-amine;ethane;1-(2-methoxyethoxy)propane
CID 144952845
1-(2-methoxyethoxy)-N-(2-methoxyethoxymethyl)-N-methylmethanamine
CID 87640725
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
CID 173303266
CID 173303266
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine (CID 5157700) is 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine is COCCOCC#CCN(C)C.
What is the InChIKey of 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine?
The InChIKey is VGWNAONWFUTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)6-4-5-7-12-9-8-11-3/h6-9H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine?
4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine has a molecular weight of 171.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine is sourced from PubChem (CID 5157700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).