8-aminooctanal;7-methoxytetradecane;propane

C26H57NO2 — CID 168894528

IUPAC8-aminooctanal;7-methoxytetradecane;propane
SMILESCCC.CCCCCCCC(CCCCCC)OC.NCCCCCCCC=O
InChIInChI=1S/C15H32O.C8H17NO.C3H8/c1-4-6-8-10-12-14-15(16-3)13-11-9-7-5-2;9-7-5-3-1-2-4-6-8-10;1-3-2/h15H,4-14H2,1-3H3;8H,1-7,9H2;3H2,1-2H3
InChIKeyIXDAZZYWVHEZJH-UHFFFAOYSA-N
MW415.75 g/mol
LogP8.23
Rot. Bonds19

About 8-aminooctanal;7-methoxytetradecane;propane

8-aminooctanal;7-methoxytetradecane;propane (PubChem CID 168894528) has the molecular formula C26H57NO2 and a molecular weight of 415.75 g/mol. Its IUPAC name is 8-aminooctanal;7-methoxytetradecane;propane.

Molecular Properties

Compound Name8-aminooctanal;7-methoxytetradecane;propane
PubChem CID168894528
Molecular FormulaC26H57NO2
Molecular Weight415.75 g/mol
Exact Mass415.44
IUPAC Name8-aminooctanal;7-methoxytetradecane;propane
SMILESCCC.CCCCCCCC(CCCCCC)OC.NCCCCCCCC=O
InChIInChI=1S/C15H32O.C8H17NO.C3H8/c1-4-6-8-10-12-14-15(16-3)13-11-9-7-5-2;9-7-5-3-1-2-4-6-8-10;1-3-2/h15H,4-14H2,1-3H3;8H,1-7,9H2;3H2,1-2H3
InChIKeyIXDAZZYWVHEZJH-UHFFFAOYSA-N
XLogP8.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-aminooctanal;7-methoxytetradecane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;formic acid;8-(hexadecylamino)octanal;9-methoxyheptadecane;pentan-1-amine
CID 168891923
8-[3-aminopropyl(8-oxooctyl)amino]octanal;9-methoxyheptadecane;3-methoxyundecane
CID 156709958
(3S)-3-methoxydecanal
CID 58437054
ruthenium;tridecanal
CID 175429355
12-methoxy-7,7-dimethylpentadecanal
CID 89328710
butane;ethane;7-methoxytetradecane;propane;undecyl 6-(8-oxooctylamino)hexanoate
CID 168894548
(5S)-5-methoxyundecane
CID 118889956
decanal;decane
CID 157361056
heptadecan-9-yl 8-[3-aminopropyl(8-oxooctyl)amino]octanoate
CID 146475457
9-amino-5-propylnonanal
CID 151747721
formic acid;8-[2-hydroxyethyl(9-methyltetradecyl)amino]octanal;9-methoxyheptadecane
CID 170754942
3-aminopropanal;nonane
CID 175260706

Frequently Asked Questions

What is the IUPAC name of 8-aminooctanal;7-methoxytetradecane;propane?
The IUPAC name of 8-aminooctanal;7-methoxytetradecane;propane (CID 168894528) is 8-aminooctanal;7-methoxytetradecane;propane.
What is the SMILES notation for 8-aminooctanal;7-methoxytetradecane;propane?
The canonical SMILES for 8-aminooctanal;7-methoxytetradecane;propane is CCC.CCCCCCCC(CCCCCC)OC.NCCCCCCCC=O.
What is the InChIKey of 8-aminooctanal;7-methoxytetradecane;propane?
The InChIKey is IXDAZZYWVHEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O.C8H17NO.C3H8/c1-4-6-8-10-12-14-15(16-3)13-11-9-7-5-2;9-7-5-3-1-2-4-6-8-10;1-3-2/h15H,4-14H2,1-3H3;8H,1-7,9H2;3H2,1-2H3.
What are the key properties of 8-aminooctanal;7-methoxytetradecane;propane?
8-aminooctanal;7-methoxytetradecane;propane has a molecular weight of 415.75 g/mol, XLogP of 8.23, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctanal;7-methoxytetradecane;propane is sourced from PubChem (CID 168894528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).