(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine

C22H34N4O2 — CID 164857834

IUPAC(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
SMILESCC(C)Oc1cc(N2CC(C)(C)C2)ccc1C(/C=N/CC1CCCCO1)=N/N
InChIInChI=1S/C22H34N4O2/c1-16(2)28-21-11-17(26-14-22(3,4)15-26)8-9-19(21)20(25-23)13-24-12-18-7-5-6-10-27-18/h8-9,11,13,16,18H,5-7,10,12,14-15,23H2,1-4H3/b24-13+,25-20+
InChIKeyUJWJHMUJYYMUPQ-NDBKAINZSA-N
MW386.54 g/mol
LogP3.62
Rot. Bonds7

About (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine

(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine (PubChem CID 164857834) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
PubChem CID164857834
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
SMILESCC(C)Oc1cc(N2CC(C)(C)C2)ccc1C(/C=N/CC1CCCCO1)=N/N
InChIInChI=1S/C22H34N4O2/c1-16(2)28-21-11-17(26-14-22(3,4)15-26)8-9-19(21)20(25-23)13-24-12-18-7-5-6-10-27-18/h8-9,11,13,16,18H,5-7,10,12,14-15,23H2,1-4H3/b24-13+,25-20+
InChIKeyUJWJHMUJYYMUPQ-NDBKAINZSA-N
XLogP3.62
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
The IUPAC name of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine (CID 164857834) is (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine.
What is the SMILES notation for (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
The canonical SMILES for (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine is CC(C)Oc1cc(N2CC(C)(C)C2)ccc1C(/C=N/CC1CCCCO1)=N/N.
What is the InChIKey of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
The InChIKey is UJWJHMUJYYMUPQ-NDBKAINZSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(2)28-21-11-17(26-14-22(3,4)15-26)8-9-19(21)20(25-23)13-24-12-18-7-5-6-10-27-18/h8-9,11,13,16,18H,5-7,10,12,14-15,23H2,1-4H3/b24-13+,25-20+.
What are the key properties of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine has a molecular weight of 386.54 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine is sourced from PubChem (CID 164857834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).