7-aminoheptanal

C7H15NO — CID 15013111

IUPAC7-aminoheptanal
SMILESNCCCCCCC=O
InChIInChI=1S/C7H15NO/c8-6-4-2-1-3-5-7-9/h7H,1-6,8H2
InChIKeyUGLZOVSJRNQLCS-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.09
Rot. Bonds6

About 7-aminoheptanal

7-aminoheptanal (PubChem CID 15013111) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 7-aminoheptanal.

Molecular Properties

Compound Name7-aminoheptanal
PubChem CID15013111
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name7-aminoheptanal
SMILESNCCCCCCC=O
InChIInChI=1S/C7H15NO/c8-6-4-2-1-3-5-7-9/h7H,1-6,8H2
InChIKeyUGLZOVSJRNQLCS-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.09
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 7-aminoheptanal?
The IUPAC name of 7-aminoheptanal (CID 15013111) is 7-aminoheptanal.
What is the SMILES notation for 7-aminoheptanal?
The canonical SMILES for 7-aminoheptanal is NCCCCCCC=O.
What is the InChIKey of 7-aminoheptanal?
The InChIKey is UGLZOVSJRNQLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c8-6-4-2-1-3-5-7-9/h7H,1-6,8H2.
What are the key properties of 7-aminoheptanal?
7-aminoheptanal has a molecular weight of 129.20 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoheptanal is sourced from PubChem (CID 15013111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).