azane;hexane-1,6-diamine

C6H22N4 — CID 18373724

IUPACazane;hexane-1,6-diamine
SMILESN.N.NCCCCCCN
InChIInChI=1S/C6H16N2.2H3N/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H3
InChIKeyJSRUIBFNFOXTNG-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.79
Rot. Bonds5

About azane;hexane-1,6-diamine

azane;hexane-1,6-diamine (PubChem CID 18373724) has the molecular formula C6H22N4 and a molecular weight of 150.27 g/mol. Its IUPAC name is azane;hexane-1,6-diamine.

Molecular Properties

Compound Nameazane;hexane-1,6-diamine
PubChem CID18373724
Molecular FormulaC6H22N4
Molecular Weight150.27 g/mol
Exact Mass150.18
IUPAC Nameazane;hexane-1,6-diamine
SMILESN.N.NCCCCCCN
InChIInChI=1S/C6H16N2.2H3N/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H3
InChIKeyJSRUIBFNFOXTNG-UHFFFAOYSA-N
XLogP0.79
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cadaverine
CID 273
Hexamethylenediamine
CID 16402
1,8-Octanediamine
CID 24250
1,10-Decanediamine
CID 1317
1,12-Dodecanediamine
CID 17727
1,6-Diaminohexane
CID 1549137
Nonamethylenediamine
CID 69534
1,7-Heptanediamine
CID 69533
1,11-Undecanediamine
CID 69966
1,6-Diaminohexane dihydrochloride
CID 2786615
Cadaverine(2+)
CID 3718401
1,6-Hexanediamine, hydrochloride (1:?)
CID 45051748

Frequently Asked Questions

What is the IUPAC name of azane;hexane-1,6-diamine?
The IUPAC name of azane;hexane-1,6-diamine (CID 18373724) is azane;hexane-1,6-diamine.
What is the SMILES notation for azane;hexane-1,6-diamine?
The canonical SMILES for azane;hexane-1,6-diamine is N.N.NCCCCCCN.
What is the InChIKey of azane;hexane-1,6-diamine?
The InChIKey is JSRUIBFNFOXTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2H3N/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H3.
What are the key properties of azane;hexane-1,6-diamine?
azane;hexane-1,6-diamine has a molecular weight of 150.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexane-1,6-diamine is sourced from PubChem (CID 18373724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).