9-aminononanal

C9H19NO — CID 15013113

IUPAC9-aminononanal
SMILESNCCCCCCCCC=O
InChIInChI=1S/C9H19NO/c10-8-6-4-2-1-3-5-7-9-11/h9H,1-8,10H2
InChIKeyCMAKSPFQPYGHSD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.87
Rot. Bonds8

About 9-aminononanal

9-aminononanal (PubChem CID 15013113) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 9-aminononanal.

Molecular Properties

Compound Name9-aminononanal
PubChem CID15013113
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name9-aminononanal
SMILESNCCCCCCCCC=O
InChIInChI=1S/C9H19NO/c10-8-6-4-2-1-3-5-7-9-11/h9H,1-8,10H2
InChIKeyCMAKSPFQPYGHSD-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.87
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 9-aminononanal?
The IUPAC name of 9-aminononanal (CID 15013113) is 9-aminononanal.
What is the SMILES notation for 9-aminononanal?
The canonical SMILES for 9-aminononanal is NCCCCCCCCC=O.
What is the InChIKey of 9-aminononanal?
The InChIKey is CMAKSPFQPYGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c10-8-6-4-2-1-3-5-7-9-11/h9H,1-8,10H2.
What are the key properties of 9-aminononanal?
9-aminononanal has a molecular weight of 157.26 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminononanal is sourced from PubChem (CID 15013113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).