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

C21H32N4O — CID 164857513

IUPAC(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
SMILESCCc1cc(N2CC(C)(C)C2)ccc1C(/C=N/CC1CCCCO1)=N/N
InChIInChI=1S/C21H32N4O/c1-4-16-11-17(25-14-21(2,3)15-25)8-9-19(16)20(24-22)13-23-12-18-7-5-6-10-26-18/h8-9,11,13,18H,4-7,10,12,14-15,22H2,1-3H3/b23-13+,24-20+
InChIKeyRFINEGBKRYPUFK-WGHMEBRLSA-N
MW356.51 g/mol
LogP3.40
Rot. Bonds6

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

(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine (PubChem CID 164857513) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
PubChem CID164857513
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
SMILESCCc1cc(N2CC(C)(C)C2)ccc1C(/C=N/CC1CCCCO1)=N/N
InChIInChI=1S/C21H32N4O/c1-4-16-11-17(25-14-21(2,3)15-25)8-9-19(16)20(24-22)13-23-12-18-7-5-6-10-26-18/h8-9,11,13,18H,4-7,10,12,14-15,22H2,1-3H3/b23-13+,24-20+
InChIKeyRFINEGBKRYPUFK-WGHMEBRLSA-N
XLogP3.40
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857834
[3-methyl-1-[3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]azetidin-3-yl]methanamine
CID 164857824
(2Z)-2-[4-(2-cyclopropylethynyl)-2-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857594
(2Z)-2-[4-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164856837
(2Z)-2-[4-(7-benzyl-2,7-diazaspiro[3.4]octan-2-yl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857739
N-[(2E)-2-ethenylpenta-2,4-dienyl]-N-methyl-1-[3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperidin-3-amine
CID 164857701
(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine
CID 164858260
3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]-N-(3-piperidin-1-ylpropyl)aniline
CID 164857580
(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane
CID 164858479
(2E)-2-[6-(2-cyclopropylethynyl)-4-methylpyridazin-3-yl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164858110
(2E)-2-[5-[2-(3,3-difluorocyclobutyl)ethynyl]-3-methyl-2-pyridinyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857981
(Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-3-(oxan-2-ylmethylimino)prop-1-en-1-amine
CID 164858078

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
The IUPAC name of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine (CID 164857513) is (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine.
What is the SMILES notation for (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
The canonical SMILES for (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine is CCc1cc(N2CC(C)(C)C2)ccc1C(/C=N/CC1CCCCO1)=N/N.
What is the InChIKey of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
The InChIKey is RFINEGBKRYPUFK-WGHMEBRLSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-16-11-17(25-14-21(2,3)15-25)8-9-19(16)20(24-22)13-23-12-18-7-5-6-10-26-18/h8-9,11,13,18H,4-7,10,12,14-15,22H2,1-3H3/b23-13+,24-20+.
What are the key properties of (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine?
(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine has a molecular weight of 356.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine is sourced from PubChem (CID 164857513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).