2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine

C15H29NO — CID 114229896

IUPAC2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine
SMILESCOCCNCC1C(C)(C)C12CCCC2(C)C
InChIInChI=1S/C15H29NO/c1-13(2)7-6-8-15(13)12(14(15,3)4)11-16-9-10-17-5/h12,16H,6-11H2,1-5H3
InChIKeyJFIQAZDMJONWLE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.07
Rot. Bonds5

About 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine

2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine (PubChem CID 114229896) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine
PubChem CID114229896
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine
SMILESCOCCNCC1C(C)(C)C12CCCC2(C)C
InChIInChI=1S/C15H29NO/c1-13(2)7-6-8-15(13)12(14(15,3)4)11-16-9-10-17-5/h12,16H,6-11H2,1-5H3
InChIKeyJFIQAZDMJONWLE-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine (CID 114229896) is 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine is COCCNCC1C(C)(C)C12CCCC2(C)C.
What is the InChIKey of 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine?
The InChIKey is JFIQAZDMJONWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)7-6-8-15(13)12(14(15,3)4)11-16-9-10-17-5/h12,16H,6-11H2,1-5H3.
What are the key properties of 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine?
2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine is sourced from PubChem (CID 114229896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).