N-ethylethanamine;formazan;hydrochloride

C5H16ClN5 — CID 172862679

IUPACN-ethylethanamine;formazan;hydrochloride
SMILESCCNCC.Cl.[H]/N=N/C=NN
InChIInChI=1S/C4H11N.CH4N4.ClH/c1-3-5-4-2;2-4-1-5-3;/h5H,3-4H2,1-2H3;1-2H,3H2;1H/b;4-2+,5-1?;
InChIKeyZOJALGNBQPEVAG-RRPIUJDMSA-N
MW181.67 g/mol
LogP0.96
Rot. Bonds3

About N-ethylethanamine;formazan;hydrochloride

N-ethylethanamine;formazan;hydrochloride (PubChem CID 172862679) has the molecular formula C5H16ClN5 and a molecular weight of 181.67 g/mol. Its IUPAC name is N-ethylethanamine;formazan;hydrochloride.

Molecular Properties

Compound NameN-ethylethanamine;formazan;hydrochloride
PubChem CID172862679
Molecular FormulaC5H16ClN5
Molecular Weight181.67 g/mol
Exact Mass181.11
IUPAC NameN-ethylethanamine;formazan;hydrochloride
SMILESCCNCC.Cl.[H]/N=N/C=NN
InChIInChI=1S/C4H11N.CH4N4.ClH/c1-3-5-4-2;2-4-1-5-3;/h5H,3-4H2,1-2H3;1-2H,3H2;1H/b;4-2+,5-1?;
InChIKeyZOJALGNBQPEVAG-RRPIUJDMSA-N
XLogP0.96
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;formazan;hydrochloride?
The IUPAC name of N-ethylethanamine;formazan;hydrochloride (CID 172862679) is N-ethylethanamine;formazan;hydrochloride.
What is the SMILES notation for N-ethylethanamine;formazan;hydrochloride?
The canonical SMILES for N-ethylethanamine;formazan;hydrochloride is CCNCC.Cl.[H]/N=N/C=NN.
What is the InChIKey of N-ethylethanamine;formazan;hydrochloride?
The InChIKey is ZOJALGNBQPEVAG-RRPIUJDMSA-N. The full InChI is InChI=1S/C4H11N.CH4N4.ClH/c1-3-5-4-2;2-4-1-5-3;/h5H,3-4H2,1-2H3;1-2H,3H2;1H/b;4-2+,5-1?;.
What are the key properties of N-ethylethanamine;formazan;hydrochloride?
N-ethylethanamine;formazan;hydrochloride has a molecular weight of 181.67 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;formazan;hydrochloride is sourced from PubChem (CID 172862679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).