2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol

C8H19N3O — CID 118617279

IUPAC2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol
SMILESC/C=C(/CN(C)CCO)NNC
InChIInChI=1S/C8H19N3O/c1-4-8(10-9-2)7-11(3)5-6-12/h4,9-10,12H,5-7H2,1-3H3/b8-4-
InChIKeyOAYFDJWDKXAALZ-YWEYNIOJSA-N
MW173.26 g/mol
LogP-0.46
Rot. Bonds6

About 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol

2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol (PubChem CID 118617279) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol
PubChem CID118617279
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol
SMILESC/C=C(/CN(C)CCO)NNC
InChIInChI=1S/C8H19N3O/c1-4-8(10-9-2)7-11(3)5-6-12/h4,9-10,12H,5-7H2,1-3H3/b8-4-
InChIKeyOAYFDJWDKXAALZ-YWEYNIOJSA-N
XLogP-0.46
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol (CID 118617279) is 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol is C/C=C(/CN(C)CCO)NNC.
What is the InChIKey of 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol?
The InChIKey is OAYFDJWDKXAALZ-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-8(10-9-2)7-11(3)5-6-12/h4,9-10,12H,5-7H2,1-3H3/b8-4-.
What are the key properties of 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol?
2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol has a molecular weight of 173.26 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(Z)-2-(2-methylhydrazinyl)but-2-enyl]amino]ethanol is sourced from PubChem (CID 118617279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).