2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine

C12H25NO2 — CID 103412763

IUPAC2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine
SMILESC=CC(C)(CCCOCCOC)CNC
InChIInChI=1S/C12H25NO2/c1-5-12(2,11-13-3)7-6-8-15-10-9-14-4/h5,13H,1,6-11H2,2-4H3
InChIKeyCMSHRYCRWUJQDW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.84
Rot. Bonds10

About 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine

2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine (PubChem CID 103412763) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine
PubChem CID103412763
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine
SMILESC=CC(C)(CCCOCCOC)CNC
InChIInChI=1S/C12H25NO2/c1-5-12(2,11-13-3)7-6-8-15-10-9-14-4/h5,13H,1,6-11H2,2-4H3
InChIKeyCMSHRYCRWUJQDW-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.84
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-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
CID 102640490
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518
2-ethenyl-5-methoxy-N,2-dimethylpentan-1-amine
CID 102640576
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 102640744
2-ethenyl-5-ethoxy-2-methyl-N-propylpentan-1-amine
CID 102640856
2-ethenyl-5-methoxy-2-methyl-N-propylpentan-1-amine
CID 102640908
2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641018
2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641070
N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102641347
N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine
CID 102641402

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine (CID 103412763) is 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine is C=CC(C)(CCCOCCOC)CNC.
What is the InChIKey of 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine?
The InChIKey is CMSHRYCRWUJQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(2,11-13-3)7-6-8-15-10-9-14-4/h5,13H,1,6-11H2,2-4H3.
What are the key properties of 2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine?
2-ethenyl-5-(2-methoxyethoxy)-N,2-dimethylpentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.84, 10 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)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 103412763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).