2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine

C16H36N4 — CID 19790328

IUPAC2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
SMILESNCCC1CC(CCN)CC(CCN)CC(CCN)C1
InChIInChI=1S/C16H36N4/c17-5-1-13-9-14(2-6-18)11-16(4-8-20)12-15(10-13)3-7-19/h13-16H,1-12,17-20H2
InChIKeyQVUOWCBNHOMVAD-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.42
Rot. Bonds8

About 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine

2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine (PubChem CID 19790328) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine.

Molecular Properties

Compound Name2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
PubChem CID19790328
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
SMILESNCCC1CC(CCN)CC(CCN)CC(CCN)C1
InChIInChI=1S/C16H36N4/c17-5-1-13-9-14(2-6-18)11-16(4-8-20)12-15(10-13)3-7-19/h13-16H,1-12,17-20H2
InChIKeyQVUOWCBNHOMVAD-UHFFFAOYSA-N
XLogP1.42
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine?
The IUPAC name of 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine (CID 19790328) is 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine.
What is the SMILES notation for 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine?
The canonical SMILES for 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine is NCCC1CC(CCN)CC(CCN)CC(CCN)C1.
What is the InChIKey of 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine?
The InChIKey is QVUOWCBNHOMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c17-5-1-13-9-14(2-6-18)11-16(4-8-20)12-15(10-13)3-7-19/h13-16H,1-12,17-20H2.
What are the key properties of 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine?
2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine has a molecular weight of 284.49 g/mol, XLogP of 1.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine is sourced from PubChem (CID 19790328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).