2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine

C11H22N2 — CID 139364896

IUPAC2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESNCCC1CC2CCC1C2CCN
InChIInChI=1S/C11H22N2/c12-5-3-9-7-8-1-2-10(9)11(8)4-6-13/h8-11H,1-7,12-13H2
InChIKeyUTTURJPKTXUJRC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.35
Rot. Bonds4

About 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine

2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine (PubChem CID 139364896) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine.

Molecular Properties

Compound Name2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
PubChem CID139364896
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESNCCC1CC2CCC1C2CCN
InChIInChI=1S/C11H22N2/c12-5-3-9-7-8-1-2-10(9)11(8)4-6-13/h8-11H,1-7,12-13H2
InChIKeyUTTURJPKTXUJRC-UHFFFAOYSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The IUPAC name of 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine (CID 139364896) is 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine.
What is the SMILES notation for 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The canonical SMILES for 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine is NCCC1CC2CCC1C2CCN.
What is the InChIKey of 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The InChIKey is UTTURJPKTXUJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c12-5-3-9-7-8-1-2-10(9)11(8)4-6-13/h8-11H,1-7,12-13H2.
What are the key properties of 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine is sourced from PubChem (CID 139364896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).