2-[2-[methyl(propyl)amino]ethyl]octanedial

C14H27NO2 — CID 87299933

IUPAC2-[2-[methyl(propyl)amino]ethyl]octanedial
SMILESCCCN(C)CCC(C=O)CCCCCC=O
InChIInChI=1S/C14H27NO2/c1-3-10-15(2)11-9-14(13-17)8-6-4-5-7-12-16/h12-14H,3-11H2,1-2H3
InChIKeyPBRWXDFGGKNPGB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.68
Rot. Bonds12

About 2-[2-[methyl(propyl)amino]ethyl]octanedial

2-[2-[methyl(propyl)amino]ethyl]octanedial (PubChem CID 87299933) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[2-[methyl(propyl)amino]ethyl]octanedial.

Molecular Properties

Compound Name2-[2-[methyl(propyl)amino]ethyl]octanedial
PubChem CID87299933
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[2-[methyl(propyl)amino]ethyl]octanedial
SMILESCCCN(C)CCC(C=O)CCCCCC=O
InChIInChI=1S/C14H27NO2/c1-3-10-15(2)11-9-14(13-17)8-6-4-5-7-12-16/h12-14H,3-11H2,1-2H3
InChIKeyPBRWXDFGGKNPGB-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[methyl(propyl)amino]ethyl]octanedial?
The IUPAC name of 2-[2-[methyl(propyl)amino]ethyl]octanedial (CID 87299933) is 2-[2-[methyl(propyl)amino]ethyl]octanedial.
What is the SMILES notation for 2-[2-[methyl(propyl)amino]ethyl]octanedial?
The canonical SMILES for 2-[2-[methyl(propyl)amino]ethyl]octanedial is CCCN(C)CCC(C=O)CCCCCC=O.
What is the InChIKey of 2-[2-[methyl(propyl)amino]ethyl]octanedial?
The InChIKey is PBRWXDFGGKNPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-10-15(2)11-9-14(13-17)8-6-4-5-7-12-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[2-[methyl(propyl)amino]ethyl]octanedial?
2-[2-[methyl(propyl)amino]ethyl]octanedial has a molecular weight of 241.37 g/mol, XLogP of 2.68, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propyl)amino]ethyl]octanedial is sourced from PubChem (CID 87299933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).