2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol

C12H16N4O — CID 169462877

IUPAC2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(C=CCN=[N+]=[N-])cc1
InChIInChI=1S/C12H16N4O/c1-16(9-10-17)12-6-4-11(5-7-12)3-2-8-14-15-13/h2-7,17H,8-10H2,1H3
InChIKeyICJVZYLNWAFYNJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol

2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol (PubChem CID 169462877) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol
PubChem CID169462877
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(C=CCN=[N+]=[N-])cc1
InChIInChI=1S/C12H16N4O/c1-16(9-10-17)12-6-4-11(5-7-12)3-2-8-14-15-13/h2-7,17H,8-10H2,1H3
InChIKeyICJVZYLNWAFYNJ-UHFFFAOYSA-N
XLogP2.44
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol?
The IUPAC name of 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol (CID 169462877) is 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol is CN(CCO)c1ccc(C=CCN=[N+]=[N-])cc1.
What is the InChIKey of 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol?
The InChIKey is ICJVZYLNWAFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(9-10-17)12-6-4-11(5-7-12)3-2-8-14-15-13/h2-7,17H,8-10H2,1H3.
What are the key properties of 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol?
2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol has a molecular weight of 232.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol is sourced from PubChem (CID 169462877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).