(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine

C20H25N3O — CID 164857841

IUPAC(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine
SMILESCc1cc(C#CC2CC2)ccc1C(/C=N/CC1CCCOC1)=N/N
InChIInChI=1S/C20H25N3O/c1-15-11-17(7-6-16-4-5-16)8-9-19(15)20(23-21)13-22-12-18-3-2-10-24-14-18/h8-9,11,13,16,18H,2-5,10,12,14,21H2,1H3/b22-13+,23-20+
InChIKeyDSSXRQKVFPYHAQ-GBXVRFTQSA-N
MW323.44 g/mol
LogP2.92
Rot. Bonds4

About (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine

(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine (PubChem CID 164857841) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine
PubChem CID164857841
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine
SMILESCc1cc(C#CC2CC2)ccc1C(/C=N/CC1CCCOC1)=N/N
InChIInChI=1S/C20H25N3O/c1-15-11-17(7-6-16-4-5-16)8-9-19(15)20(23-21)13-22-12-18-3-2-10-24-14-18/h8-9,11,13,16,18H,2-5,10,12,14,21H2,1H3/b22-13+,23-20+
InChIKeyDSSXRQKVFPYHAQ-GBXVRFTQSA-N
XLogP2.92
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-yl)ethanimine
CID 164857293
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine
CID 164856690
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-[(1-methylpiperidin-2-yl)methyl]ethanimine
CID 164856823
(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine
CID 164857963
(2E)-2-[6-(2-cyclopropylethynyl)-4-methylpyridazin-3-yl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164858110
[3-methyl-1-[3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]azetidin-3-yl]methanamine
CID 164857824
(2E)-2-[5-[2-(3,3-difluorocyclobutyl)ethynyl]-3-methyl-2-pyridinyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857981
1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-6-methyl-4-(oxan-3-ylmethoxy)pyridin-2-one
CID 164856468
3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]-N-(3-piperidin-1-ylpropyl)aniline
CID 164857580
(2Z)-2-[4-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164856837
N-[3-[4-[2-(2-methoxyethylimino)ethanehydrazonoyl]-3-methylphenyl]prop-2-ynyl]aniline;molecular hydrogen
CID 164857933
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-[[(3R)-oxan-3-yl]methoxy]pyridin-2-one
CID 167420565

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine?
The IUPAC name of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine (CID 164857841) is (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine.
What is the SMILES notation for (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine?
The canonical SMILES for (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine is Cc1cc(C#CC2CC2)ccc1C(/C=N/CC1CCCOC1)=N/N.
What is the InChIKey of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine?
The InChIKey is DSSXRQKVFPYHAQ-GBXVRFTQSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-11-17(7-6-16-4-5-16)8-9-19(15)20(23-21)13-22-12-18-3-2-10-24-14-18/h8-9,11,13,16,18H,2-5,10,12,14,21H2,1H3/b22-13+,23-20+.
What are the key properties of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine?
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine has a molecular weight of 323.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine is sourced from PubChem (CID 164857841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).