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

C15H29NO — CID 54956651

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine
SMILESCCCCOCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C15H29NO/c1-3-4-8-17-9-7-16-12(2)15-11-13-5-6-14(15)10-13/h12-16H,3-11H2,1-2H3
InChIKeyVNLQFSABCASSSD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds8

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

1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine (PubChem CID 54956651) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine
PubChem CID54956651
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine
SMILESCCCCOCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C15H29NO/c1-3-4-8-17-9-7-16-12(2)15-11-13-5-6-14(15)10-13/h12-16H,3-11H2,1-2H3
InChIKeyVNLQFSABCASSSD-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
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-butoxyethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine (CID 54956651) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine is CCCCOCCNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine?
The InChIKey is VNLQFSABCASSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-8-17-9-7-16-12(2)15-11-13-5-6-14(15)10-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 8 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-butoxyethyl)ethanamine is sourced from PubChem (CID 54956651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).