2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate

C14H25NO2 — CID 142297629

IUPAC2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate
SMILESC=CNCCOC(=O)C1(CC(C)(C)C)CC1C
InChIInChI=1S/C14H25NO2/c1-6-15-7-8-17-12(16)14(9-11(14)2)10-13(3,4)5/h6,11,15H,1,7-10H2,2-5H3
InChIKeyHBJFCWDDMNTGMF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.73
Rot. Bonds6

About 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate

2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 142297629) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate
PubChem CID142297629
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate
SMILESC=CNCCOC(=O)C1(CC(C)(C)C)CC1C
InChIInChI=1S/C14H25NO2/c1-6-15-7-8-17-12(16)14(9-11(14)2)10-13(3,4)5/h6,11,15H,1,7-10H2,2-5H3
InChIKeyHBJFCWDDMNTGMF-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate (CID 142297629) is 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate is C=CNCCOC(=O)C1(CC(C)(C)C)CC1C.
What is the InChIKey of 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is HBJFCWDDMNTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-15-7-8-17-12(16)14(9-11(14)2)10-13(3,4)5/h6,11,15H,1,7-10H2,2-5H3.
What are the key properties of 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylamino)ethyl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 142297629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).