8-aminooctanal

C8H17NO — CID 15013112

IUPAC8-aminooctanal
SMILESNCCCCCCCC=O
InChIInChI=1S/C8H17NO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7,9H2
InChIKeyGKOPBHPTLGFKOR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds7

About 8-aminooctanal

8-aminooctanal (PubChem CID 15013112) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 8-aminooctanal.

Molecular Properties

Compound Name8-aminooctanal
PubChem CID15013112
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name8-aminooctanal
SMILESNCCCCCCCC=O
InChIInChI=1S/C8H17NO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7,9H2
InChIKeyGKOPBHPTLGFKOR-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-aminooctanal?
The IUPAC name of 8-aminooctanal (CID 15013112) is 8-aminooctanal.
What is the SMILES notation for 8-aminooctanal?
The canonical SMILES for 8-aminooctanal is NCCCCCCCC=O.
What is the InChIKey of 8-aminooctanal?
The InChIKey is GKOPBHPTLGFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7,9H2.
What are the key properties of 8-aminooctanal?
8-aminooctanal has a molecular weight of 143.23 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctanal is sourced from PubChem (CID 15013112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).