(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine

C21H27N3O — CID 164856690

IUPAC(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine
SMILESCc1cc(C#CC2CC2)ccc1C(/C=N/CC1CCC(C)(C)O1)=N/N
InChIInChI=1S/C21H27N3O/c1-15-12-17(7-6-16-4-5-16)8-9-19(15)20(24-22)14-23-13-18-10-11-21(2,3)25-18/h8-9,12,14,16,18H,4-5,10-11,13,22H2,1-3H3/b23-14+,24-20+
InChIKeyOWNUIRAIZHPLSP-LONOGQQXSA-N
MW337.47 g/mol
LogP3.45
Rot. Bonds4

About (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine

(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine (PubChem CID 164856690) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine.

Molecular Properties

Compound Name(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine
PubChem CID164856690
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine
SMILESCc1cc(C#CC2CC2)ccc1C(/C=N/CC1CCC(C)(C)O1)=N/N
InChIInChI=1S/C21H27N3O/c1-15-12-17(7-6-16-4-5-16)8-9-19(15)20(24-22)14-23-13-18-10-11-21(2,3)25-18/h8-9,12,14,16,18H,4-5,10-11,13,22H2,1-3H3/b23-14+,24-20+
InChIKeyOWNUIRAIZHPLSP-LONOGQQXSA-N
XLogP3.45
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.45
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]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine with MolForge

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Related Compounds

(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-ylmethyl)ethanimine
CID 164857841
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-[(1-methylpiperidin-2-yl)methyl]ethanimine
CID 164856823
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-yl)ethanimine
CID 164857293
(Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-3-(oxan-2-ylmethylimino)prop-1-en-1-amine
CID 164858078
[3-methyl-1-[3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]azetidin-3-yl]methanamine
CID 164857824
(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine
CID 164857618
(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
N'-amino-N-[4-(2-cyclopropylethynyl)phenyl]-2-[(5,5-dimethyl-1,3-dioxan-2-yl)methylimino]-N-methylethanimidamide
CID 170762740
4-[3-(dimethylamino)-4-[2-[(5,5-dimethyl-1,3-dioxan-2-yl)methylimino]ethanehydrazonoyl]phenyl]-2-methylbut-3-yn-2-ol
CID 164857918
(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine
CID 164857963
3-[(5,5-dimethyloxolan-2-yl)methylsulfonyl]-2-methylbenzoic acid
CID 116522433

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
The IUPAC name of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine (CID 164856690) is (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine.
What is the SMILES notation for (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
The canonical SMILES for (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine is Cc1cc(C#CC2CC2)ccc1C(/C=N/CC1CCC(C)(C)O1)=N/N.
What is the InChIKey of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
The InChIKey is OWNUIRAIZHPLSP-LONOGQQXSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-12-17(7-6-16-4-5-16)8-9-19(15)20(24-22)14-23-13-18-10-11-21(2,3)25-18/h8-9,12,14,16,18H,4-5,10-11,13,22H2,1-3H3/b23-14+,24-20+.
What are the key properties of (2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine has a molecular weight of 337.47 g/mol, XLogP of 3.45, 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]-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-hydrazinylideneethanimine is sourced from PubChem (CID 164856690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).