10-aminodecanal

C10H21NO — CID 15013114

IUPAC10-aminodecanal
SMILESNCCCCCCCCCC=O
InChIInChI=1S/C10H21NO/c11-9-7-5-3-1-2-4-6-8-10-12/h10H,1-9,11H2
InChIKeyXMIVZZVWXHLGDM-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.26
Rot. Bonds9

About 10-aminodecanal

10-aminodecanal (PubChem CID 15013114) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 10-aminodecanal.

Molecular Properties

Compound Name10-aminodecanal
PubChem CID15013114
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name10-aminodecanal
SMILESNCCCCCCCCCC=O
InChIInChI=1S/C10H21NO/c11-9-7-5-3-1-2-4-6-8-10-12/h10H,1-9,11H2
InChIKeyXMIVZZVWXHLGDM-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.26
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 10-aminodecanal?
The IUPAC name of 10-aminodecanal (CID 15013114) is 10-aminodecanal.
What is the SMILES notation for 10-aminodecanal?
The canonical SMILES for 10-aminodecanal is NCCCCCCCCCC=O.
What is the InChIKey of 10-aminodecanal?
The InChIKey is XMIVZZVWXHLGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c11-9-7-5-3-1-2-4-6-8-10-12/h10H,1-9,11H2.
What are the key properties of 10-aminodecanal?
10-aminodecanal has a molecular weight of 171.28 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-aminodecanal is sourced from PubChem (CID 15013114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).