8-(2-aminoethyl)azocan-2-one

C9H18N2O — CID 2832734

IUPAC8-(2-aminoethyl)azocan-2-one
SMILESNCCC1CCCCCC(=O)N1
InChIInChI=1S/C9H18N2O/c10-7-6-8-4-2-1-3-5-9(12)11-8/h8H,1-7,10H2,(H,11,12)
InChIKeyAKAQAMXURXDINT-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.78
Rot. Bonds2

About 8-(2-aminoethyl)azocan-2-one

8-(2-aminoethyl)azocan-2-one (PubChem CID 2832734) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 8-(2-aminoethyl)azocan-2-one.

Molecular Properties

Compound Name8-(2-aminoethyl)azocan-2-one
PubChem CID2832734
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name8-(2-aminoethyl)azocan-2-one
SMILESNCCC1CCCCCC(=O)N1
InChIInChI=1S/C9H18N2O/c10-7-6-8-4-2-1-3-5-9(12)11-8/h8H,1-7,10H2,(H,11,12)
InChIKeyAKAQAMXURXDINT-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)azocan-2-one?
The IUPAC name of 8-(2-aminoethyl)azocan-2-one (CID 2832734) is 8-(2-aminoethyl)azocan-2-one.
What is the SMILES notation for 8-(2-aminoethyl)azocan-2-one?
The canonical SMILES for 8-(2-aminoethyl)azocan-2-one is NCCC1CCCCCC(=O)N1.
What is the InChIKey of 8-(2-aminoethyl)azocan-2-one?
The InChIKey is AKAQAMXURXDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-7-6-8-4-2-1-3-5-9(12)11-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 8-(2-aminoethyl)azocan-2-one?
8-(2-aminoethyl)azocan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)azocan-2-one is sourced from PubChem (CID 2832734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).