5-aminooctan-3-one

C8H17NO — CID 116607745

IUPAC5-aminooctan-3-one
SMILESCCCC(N)CC(=O)CC
InChIInChI=1S/C8H17NO/c1-3-5-7(9)6-8(10)4-2/h7H,3-6,9H2,1-2H3
InChIKeyZUROTIDQLUZCJZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds5

About 5-aminooctan-3-one

5-aminooctan-3-one (PubChem CID 116607745) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-aminooctan-3-one.

Molecular Properties

Compound Name5-aminooctan-3-one
PubChem CID116607745
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-aminooctan-3-one
SMILESCCCC(N)CC(=O)CC
InChIInChI=1S/C8H17NO/c1-3-5-7(9)6-8(10)4-2/h7H,3-6,9H2,1-2H3
InChIKeyZUROTIDQLUZCJZ-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Aminotridecan-4-one;hydrochloride
CID 57391490
1-Deoxy-3-dehydrosphinganine
CID 9878914
(3S)-3-aminotridecan-4-one;hydrochloride
CID 71457228
7-Aminoheptan-2-one
CID 17772784
8-Aminooctan-4-one
CID 25202393
(3S)-3,7-diaminoheptan-2-one
CID 5288718
5-Ketooctylamine
CID 25202394
3-Aminotridecan-4-one
CID 44216782
1-Deoxy-3-dehydrosphinganine(1+)
CID 58743253
3-Aminooctan-2-one--hydrogen chloride (1/1)
CID 13478908
2-Aminohexadecan-3-one
CID 17973409
8-Aminooctan-2-one hydrochloride
CID 121553491

Frequently Asked Questions

What is the IUPAC name of 5-aminooctan-3-one?
The IUPAC name of 5-aminooctan-3-one (CID 116607745) is 5-aminooctan-3-one.
What is the SMILES notation for 5-aminooctan-3-one?
The canonical SMILES for 5-aminooctan-3-one is CCCC(N)CC(=O)CC.
What is the InChIKey of 5-aminooctan-3-one?
The InChIKey is ZUROTIDQLUZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-7(9)6-8(10)4-2/h7H,3-6,9H2,1-2H3.
What are the key properties of 5-aminooctan-3-one?
5-aminooctan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooctan-3-one is sourced from PubChem (CID 116607745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).