2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine

C11H23NO2 — CID 103412762

IUPAC2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CCCOCCOC
InChIInChI=1S/C11H23NO2/c1-4-11(2,10-12)6-5-7-14-9-8-13-3/h4H,1,5-10,12H2,2-3H3
InChIKeyPFHXHIDXOBGTDS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.58
Rot. Bonds9

About 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine

2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine (PubChem CID 103412762) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
PubChem CID103412762
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CCCOCCOC
InChIInChI=1S/C11H23NO2/c1-4-11(2,10-12)6-5-7-14-9-8-13-3/h4H,1,5-10,12H2,2-3H3
InChIKeyPFHXHIDXOBGTDS-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
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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Related Compounds

2-Ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640423
2-[2-(2-Methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682411
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682425
2-[2-(2-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640320
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640388
2-Ethenyl-5-methoxy-2-methylpentan-1-amine
CID 102640398
2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine
CID 103412763
2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
CID 103412764
2-ethenyl-5-(2-methoxyethoxy)-2-methyl-N-propylpentan-1-amine
CID 103412765
2-ethenyl-5-(2-methoxyethoxy)-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 113813273

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine (CID 103412762) is 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine is C=CC(C)(CN)CCCOCCOC.
What is the InChIKey of 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
The InChIKey is PFHXHIDXOBGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-11(2,10-12)6-5-7-14-9-8-13-3/h4H,1,5-10,12H2,2-3H3.
What are the key properties of 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine is sourced from PubChem (CID 103412762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).