2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile

C8H15N3O — CID 57263452

IUPAC2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile
SMILESCC(C)(C)N(CCO)N=CC#N
InChIInChI=1S/C8H15N3O/c1-8(2,3)11(6-7-12)10-5-4-9/h5,12H,6-7H2,1-3H3
InChIKeyKCELNLGPOVWXJO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.59
Rot. Bonds3

About 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile

2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile (PubChem CID 57263452) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile.

Molecular Properties

Compound Name2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile
PubChem CID57263452
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile
SMILESCC(C)(C)N(CCO)N=CC#N
InChIInChI=1S/C8H15N3O/c1-8(2,3)11(6-7-12)10-5-4-9/h5,12H,6-7H2,1-3H3
InChIKeyKCELNLGPOVWXJO-UHFFFAOYSA-N
XLogP0.59
TPSA59.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile?
The IUPAC name of 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile (CID 57263452) is 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile.
What is the SMILES notation for 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile?
The canonical SMILES for 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile is CC(C)(C)N(CCO)N=CC#N.
What is the InChIKey of 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile?
The InChIKey is KCELNLGPOVWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)11(6-7-12)10-5-4-9/h5,12H,6-7H2,1-3H3.
What are the key properties of 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile?
2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile has a molecular weight of 169.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-hydroxyethyl)hydrazinylidene]acetonitrile is sourced from PubChem (CID 57263452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).