1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride

C6H18Cl2N4 — CID 87145835

IUPAC1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride
SMILESCC(N)C/N=N/CC(C)N.Cl.Cl
InChIInChI=1S/C6H16N4.2ClH/c1-5(7)3-9-10-4-6(2)8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H/b10-9+;;
InChIKeyNJFSCBHFWBTSSZ-TTWKNDKESA-N
MW217.14 g/mol
LogP0.98
Rot. Bonds4

About 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride

1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride (PubChem CID 87145835) has the molecular formula C6H18Cl2N4 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride
PubChem CID87145835
Molecular FormulaC6H18Cl2N4
Molecular Weight217.14 g/mol
Exact Mass216.09
IUPAC Name1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride
SMILESCC(N)C/N=N/CC(C)N.Cl.Cl
InChIInChI=1S/C6H16N4.2ClH/c1-5(7)3-9-10-4-6(2)8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H/b10-9+;;
InChIKeyNJFSCBHFWBTSSZ-TTWKNDKESA-N
XLogP0.98
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride?
The IUPAC name of 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride (CID 87145835) is 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride.
What is the SMILES notation for 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride?
The canonical SMILES for 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride is CC(N)C/N=N/CC(C)N.Cl.Cl.
What is the InChIKey of 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride?
The InChIKey is NJFSCBHFWBTSSZ-TTWKNDKESA-N. The full InChI is InChI=1S/C6H16N4.2ClH/c1-5(7)3-9-10-4-6(2)8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H/b10-9+;;.
What are the key properties of 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride?
1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyldiazenyl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 87145835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).