methanamine;tris(octane)

C25H59N — CID 173014836

IUPACmethanamine;tris(octane)
SMILESCCCCCCCC.CCCCCCCC.CCCCCCCC.CN
InChIInChI=1S/3C8H18.CH5N/c3*1-3-5-7-8-6-4-2;1-2/h3*3-8H2,1-2H3;2H2,1H3
InChIKeyHPTYYFMPVKCMCG-UHFFFAOYSA-N
MW373.75 g/mol
LogP9.68
Rot. Bonds15

About methanamine;tris(octane)

methanamine;tris(octane) (PubChem CID 173014836) has the molecular formula C25H59N and a molecular weight of 373.75 g/mol. Its IUPAC name is methanamine;tris(octane).

Molecular Properties

Compound Namemethanamine;tris(octane)
PubChem CID173014836
Molecular FormulaC25H59N
Molecular Weight373.75 g/mol
Exact Mass373.46
IUPAC Namemethanamine;tris(octane)
SMILESCCCCCCCC.CCCCCCCC.CCCCCCCC.CN
InChIInChI=1S/3C8H18.CH5N/c3*1-3-5-7-8-6-4-2;1-2/h3*3-8H2,1-2H3;2H2,1H3
InChIKeyHPTYYFMPVKCMCG-UHFFFAOYSA-N
XLogP9.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.75
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanamine;tris(octane) 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

decane;methanamine
CID 159574300
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
hexadecane;methanamine;hydrobromide
CID 175276433
heptadecane;hydrazine
CID 174880698
hydrazine;pentadecane
CID 174880620
triacontane
CID 12535
dictane
CID 19848341
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of methanamine;tris(octane)?
The IUPAC name of methanamine;tris(octane) (CID 173014836) is methanamine;tris(octane).
What is the SMILES notation for methanamine;tris(octane)?
The canonical SMILES for methanamine;tris(octane) is CCCCCCCC.CCCCCCCC.CCCCCCCC.CN.
What is the InChIKey of methanamine;tris(octane)?
The InChIKey is HPTYYFMPVKCMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H18.CH5N/c3*1-3-5-7-8-6-4-2;1-2/h3*3-8H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;tris(octane)?
methanamine;tris(octane) has a molecular weight of 373.75 g/mol, XLogP of 9.68, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;tris(octane) is sourced from PubChem (CID 173014836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).