1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol

C10H15N3O — CID 23341032

IUPAC1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol
SMILESCCN(C1=CCC(=[N+]=[N-])C=C1)C(C)O
InChIInChI=1S/C10H15N3O/c1-3-13(8(2)14)10-6-4-9(12-11)5-7-10/h4,6-8,14H,3,5H2,1-2H3
InChIKeyREUGENZKPCHABS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds3

About 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol

1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol (PubChem CID 23341032) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol
PubChem CID23341032
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol
SMILESCCN(C1=CCC(=[N+]=[N-])C=C1)C(C)O
InChIInChI=1S/C10H15N3O/c1-3-13(8(2)14)10-6-4-9(12-11)5-7-10/h4,6-8,14H,3,5H2,1-2H3
InChIKeyREUGENZKPCHABS-UHFFFAOYSA-N
XLogP1.16
TPSA59.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol?
The IUPAC name of 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol (CID 23341032) is 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol.
What is the SMILES notation for 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol?
The canonical SMILES for 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol is CCN(C1=CCC(=[N+]=[N-])C=C1)C(C)O.
What is the InChIKey of 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol?
The InChIKey is REUGENZKPCHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-13(8(2)14)10-6-4-9(12-11)5-7-10/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol?
1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol has a molecular weight of 193.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-diazocyclohexa-1,5-dien-1-yl)-ethylamino]ethanol is sourced from PubChem (CID 23341032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).