2-aminododecanal

C12H25NO — CID 21420686

IUPAC2-aminododecanal
SMILESCCCCCCCCCCC(N)C=O
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h11-12H,2-10,13H2,1H3
InChIKeyMBVMMSONKHZAQF-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.04
Rot. Bonds10

About 2-aminododecanal

2-aminododecanal (PubChem CID 21420686) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-aminododecanal.

Molecular Properties

Compound Name2-aminododecanal
PubChem CID21420686
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-aminododecanal
SMILESCCCCCCCCCCC(N)C=O
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h11-12H,2-10,13H2,1H3
InChIKeyMBVMMSONKHZAQF-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.04
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 2-aminododecanal?
The IUPAC name of 2-aminododecanal (CID 21420686) is 2-aminododecanal.
What is the SMILES notation for 2-aminododecanal?
The canonical SMILES for 2-aminododecanal is CCCCCCCCCCC(N)C=O.
What is the InChIKey of 2-aminododecanal?
The InChIKey is MBVMMSONKHZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-aminododecanal?
2-aminododecanal has a molecular weight of 199.34 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminododecanal is sourced from PubChem (CID 21420686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).