bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride

C14H28Cl2N6 — CID 70443471

IUPACbis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride
SMILESCCC(C)(N=NC(C)(CC)N1C=NCC1)N1C=NCC1.Cl.Cl
InChIInChI=1S/C14H26N6.2ClH/c1-5-13(3,19-9-7-15-11-19)17-18-14(4,6-2)20-10-8-16-12-20;;/h11-12H,5-10H2,1-4H3;2*1H
InChIKeyWCIMGURRZAYYMT-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.22
Rot. Bonds6

About bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride

bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride (PubChem CID 70443471) has the molecular formula C14H28Cl2N6 and a molecular weight of 351.33 g/mol. Its IUPAC name is bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride.

Molecular Properties

Compound Namebis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride
PubChem CID70443471
Molecular FormulaC14H28Cl2N6
Molecular Weight351.33 g/mol
Exact Mass350.18
IUPAC Namebis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride
SMILESCCC(C)(N=NC(C)(CC)N1C=NCC1)N1C=NCC1.Cl.Cl
InChIInChI=1S/C14H26N6.2ClH/c1-5-13(3,19-9-7-15-11-19)17-18-14(4,6-2)20-10-8-16-12-20;;/h11-12H,5-10H2,1-4H3;2*1H
InChIKeyWCIMGURRZAYYMT-UHFFFAOYSA-N
XLogP3.22
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride?
The IUPAC name of bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride (CID 70443471) is bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride.
What is the SMILES notation for bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride?
The canonical SMILES for bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride is CCC(C)(N=NC(C)(CC)N1C=NCC1)N1C=NCC1.Cl.Cl.
What is the InChIKey of bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride?
The InChIKey is WCIMGURRZAYYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6.2ClH/c1-5-13(3,19-9-7-15-11-19)17-18-14(4,6-2)20-10-8-16-12-20;;/h11-12H,5-10H2,1-4H3;2*1H.
What are the key properties of bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride?
bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride has a molecular weight of 351.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride is sourced from PubChem (CID 70443471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).