azane;hexane;molecular hydrogen

C6H19N — CID 143167531

IUPACazane;hexane;molecular hydrogen
SMILESCCCCCC.N.[H][H]
InChIInChI=1S/C6H14.H3N.H2/c1-3-5-6-4-2;;/h3-6H2,1-2H3;1H3;1H
InChIKeyXTIYQWWXMWFNSY-UHFFFAOYSA-N
MW105.22 g/mol
LogP2.99
Rot. Bonds3

About azane;hexane;molecular hydrogen

azane;hexane;molecular hydrogen (PubChem CID 143167531) has the molecular formula C6H19N and a molecular weight of 105.22 g/mol. Its IUPAC name is azane;hexane;molecular hydrogen.

Molecular Properties

Compound Nameazane;hexane;molecular hydrogen
PubChem CID143167531
Molecular FormulaC6H19N
Molecular Weight105.22 g/mol
Exact Mass105.15
IUPAC Nameazane;hexane;molecular hydrogen
SMILESCCCCCC.N.[H][H]
InChIInChI=1S/C6H14.H3N.H2/c1-3-5-6-4-2;;/h3-6H2,1-2H3;1H3;1H
InChIKeyXTIYQWWXMWFNSY-UHFFFAOYSA-N
XLogP2.99
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;hexane
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molecular hydrogen;pentane
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azane;bis(octadecane);hydrobromide
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CID 159407970
azane;docosane;methane
CID 175254385
azane;tritriacontane;hydrochloride
CID 174841743
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;tungsten
CID 162105258
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of azane;hexane;molecular hydrogen?
The IUPAC name of azane;hexane;molecular hydrogen (CID 143167531) is azane;hexane;molecular hydrogen.
What is the SMILES notation for azane;hexane;molecular hydrogen?
The canonical SMILES for azane;hexane;molecular hydrogen is CCCCCC.N.[H][H].
What is the InChIKey of azane;hexane;molecular hydrogen?
The InChIKey is XTIYQWWXMWFNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.H3N.H2/c1-3-5-6-4-2;;/h3-6H2,1-2H3;1H3;1H.
What are the key properties of azane;hexane;molecular hydrogen?
azane;hexane;molecular hydrogen has a molecular weight of 105.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexane;molecular hydrogen is sourced from PubChem (CID 143167531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).