1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine

C13H25NO — CID 43387930

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-3-15-7-6-14-10(2)13-9-11-4-5-12(13)8-11/h10-14H,3-9H2,1-2H3
InChIKeyYGVOJPRRDQTABJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 43387930) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine
PubChem CID43387930
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-3-15-7-6-14-10(2)13-9-11-4-5-12(13)8-11/h10-14H,3-9H2,1-2H3
InChIKeyYGVOJPRRDQTABJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
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 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine (CID 43387930) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine is CCOCCNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is YGVOJPRRDQTABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-15-7-6-14-10(2)13-9-11-4-5-12(13)8-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 43387930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).