2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C12H25NO2 — CID 79351877

IUPAC2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCOC(CNCC1C(C)(C)C1(C)C)OC
InChIInChI=1S/C12H25NO2/c1-11(2)9(12(11,3)4)7-13-8-10(14-5)15-6/h9-10,13H,7-8H2,1-6H3
InChIKeyBWLSOLHJXFGXFE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.88
Rot. Bonds6

About 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 79351877) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID79351877
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCOC(CNCC1C(C)(C)C1(C)C)OC
InChIInChI=1S/C12H25NO2/c1-11(2)9(12(11,3)4)7-13-8-10(14-5)15-6/h9-10,13H,7-8H2,1-6H3
InChIKeyBWLSOLHJXFGXFE-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 79351877) is 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is COC(CNCC1C(C)(C)C1(C)C)OC.
What is the InChIKey of 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is BWLSOLHJXFGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)9(12(11,3)4)7-13-8-10(14-5)15-6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 79351877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).