8-aminooctan-4-one

C8H17NO — CID 25202394

IUPAC8-aminooctan-4-one
SMILESCCCC(=O)CCCCN
InChIInChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3
InChIKeyUYCHPUIDXXFEKR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds6

About 8-aminooctan-4-one

8-aminooctan-4-one (PubChem CID 25202394) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 8-aminooctan-4-one.

Molecular Properties

Compound Name8-aminooctan-4-one
PubChem CID25202394
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name8-aminooctan-4-one
SMILESCCCC(=O)CCCCN
InChIInChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3
InChIKeyUYCHPUIDXXFEKR-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridecane-4,10-dione
CID 158766358
methanamine;nonan-4-one
CID 174439685
10-aminodecan-4-one;piperidine
CID 70631903
tridecane-4,9-dione
CID 166698782
14-aminotetradecan-3-one
CID 178176766
icosane-4,15-dione
CID 123287171
octadecan-4-one
CID 551672
1-hydroxyundecane-3,8-dione
CID 134266398
6-oxononanoic acid
CID 5282981
8-bromooctan-4-one
CID 15442624
2-bromoacetyl bromide;1-bromopentadecan-2-one;dodecan-1-amine
CID 158913678
methanol;octan-4-one
CID 174820687

Frequently Asked Questions

What is the IUPAC name of 8-aminooctan-4-one?
The IUPAC name of 8-aminooctan-4-one (CID 25202394) is 8-aminooctan-4-one.
What is the SMILES notation for 8-aminooctan-4-one?
The canonical SMILES for 8-aminooctan-4-one is CCCC(=O)CCCCN.
What is the InChIKey of 8-aminooctan-4-one?
The InChIKey is UYCHPUIDXXFEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3.
What are the key properties of 8-aminooctan-4-one?
8-aminooctan-4-one has a molecular weight of 143.23 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctan-4-one is sourced from PubChem (CID 25202394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).