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

C13H27NO2 — CID 103412764

IUPAC2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOCCOC)CNCC
InChIInChI=1S/C13H27NO2/c1-5-13(3,12-14-6-2)8-7-9-16-11-10-15-4/h5,14H,1,6-12H2,2-4H3
InChIKeyJLOQRQACAFZIMK-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.23
Rot. Bonds11

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

2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine (PubChem CID 103412764) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
PubChem CID103412764
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOCCOC)CNCC
InChIInChI=1S/C13H27NO2/c1-5-13(3,12-14-6-2)8-7-9-16-11-10-15-4/h5,14H,1,6-12H2,2-4H3
InChIKeyJLOQRQACAFZIMK-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.23
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-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641092
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641423
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
2-ethenyl-N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641758
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518
2-ethenyl-5-methoxy-N,2-dimethylpentan-1-amine
CID 102640576
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640663
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-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640830

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine (CID 103412764) is 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine is C=CC(C)(CCCOCCOC)CNCC.
What is the InChIKey of 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
The InChIKey is JLOQRQACAFZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-13(3,12-14-6-2)8-7-9-16-11-10-15-4/h5,14H,1,6-12H2,2-4H3.
What are the key properties of 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine?
2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.23, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine is sourced from PubChem (CID 103412764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).