azane;docosane;methane

C23H53N — CID 175254385

IUPACazane;docosane;methane
SMILESC.CCCCCCCCCCCCCCCCCCCCCC.N
InChIInChI=1S/C22H46.CH4.H3N/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;;/h3-22H2,1-2H3;1H4;1H3
InChIKeyXVVLYQGJHALSDZ-UHFFFAOYSA-N
MW343.68 g/mol
LogP9.63
Rot. Bonds19

About azane;docosane;methane

azane;docosane;methane (PubChem CID 175254385) has the molecular formula C23H53N and a molecular weight of 343.68 g/mol. Its IUPAC name is azane;docosane;methane.

Molecular Properties

Compound Nameazane;docosane;methane
PubChem CID175254385
Molecular FormulaC23H53N
Molecular Weight343.68 g/mol
Exact Mass343.42
IUPAC Nameazane;docosane;methane
SMILESC.CCCCCCCCCCCCCCCCCCCCCC.N
InChIInChI=1S/C22H46.CH4.H3N/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;;/h3-22H2,1-2H3;1H4;1H3
InChIKeyXVVLYQGJHALSDZ-UHFFFAOYSA-N
XLogP9.63
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.68
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;docosane;methane 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

azane;methane;undecane
CID 159407970
dodecane;methane
CID 22277750
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
azane;bis(octadecane);hydrobromide
CID 174053735
butane;pentakis(heptane);methane
CID 160660769
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of azane;docosane;methane?
The IUPAC name of azane;docosane;methane (CID 175254385) is azane;docosane;methane.
What is the SMILES notation for azane;docosane;methane?
The canonical SMILES for azane;docosane;methane is C.CCCCCCCCCCCCCCCCCCCCCC.N.
What is the InChIKey of azane;docosane;methane?
The InChIKey is XVVLYQGJHALSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46.CH4.H3N/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;;/h3-22H2,1-2H3;1H4;1H3.
What are the key properties of azane;docosane;methane?
azane;docosane;methane has a molecular weight of 343.68 g/mol, XLogP of 9.63, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;docosane;methane is sourced from PubChem (CID 175254385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).