azane;hexane

C6H20N2 — CID 18428977

IUPACazane;hexane
SMILESCCCCCC.N.N
InChIInChI=1S/C6H14.2H3N/c1-3-5-6-4-2;;/h3-6H2,1-2H3;2*1H3
InChIKeyPYVNHBWAEAENNL-UHFFFAOYSA-N
MW120.24 g/mol
LogP2.91
Rot. Bonds3

About azane;hexane

azane;hexane (PubChem CID 18428977) has the molecular formula C6H20N2 and a molecular weight of 120.24 g/mol. Its IUPAC name is azane;hexane.

Molecular Properties

Compound Nameazane;hexane
PubChem CID18428977
Molecular FormulaC6H20N2
Molecular Weight120.24 g/mol
Exact Mass120.16
IUPAC Nameazane;hexane
SMILESCCCCCC.N.N
InChIInChI=1S/C6H14.2H3N/c1-3-5-6-4-2;;/h3-6H2,1-2H3;2*1H3
InChIKeyPYVNHBWAEAENNL-UHFFFAOYSA-N
XLogP2.91
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;docosane;methane
CID 175254385
azane;methane;undecane
CID 159407970
azane;bis(octadecane);hydrobromide
CID 174053735
azane;tritriacontane;hydrochloride
CID 174841743
azane;hexane;molecular hydrogen
CID 143167531
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
decane;heptane
CID 159049036
hexane;molybdenum
CID 162092649
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of azane;hexane?
The IUPAC name of azane;hexane (CID 18428977) is azane;hexane.
What is the SMILES notation for azane;hexane?
The canonical SMILES for azane;hexane is CCCCCC.N.N.
What is the InChIKey of azane;hexane?
The InChIKey is PYVNHBWAEAENNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2H3N/c1-3-5-6-4-2;;/h3-6H2,1-2H3;2*1H3.
What are the key properties of azane;hexane?
azane;hexane has a molecular weight of 120.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexane is sourced from PubChem (CID 18428977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).