(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine

C26H40N6O — CID 164858260

IUPAC(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine
SMILESC/C=C\C(CN1CCN(c2ccc(C)c(C(/C=N/CC3CCCCO3)=N/N)c2)CC1)=N/CC
InChIInChI=1S/C26H40N6O/c1-4-8-22(29-5-2)20-31-12-14-32(15-13-31)23-11-10-21(3)25(17-23)26(30-27)19-28-18-24-9-6-7-16-33-24/h4,8,10-11,17,19,24H,5-7,9,12-16,18,20,27H2,1-3H3/b8-4-,28-19+,29-22+,30-26+
InChIKeySYIZBJPESJARDS-QUQKYNDDSA-N
MW452.65 g/mol
LogP3.46
Rot. Bonds9

About (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine

(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine (PubChem CID 164858260) has the molecular formula C26H40N6O and a molecular weight of 452.65 g/mol. Its IUPAC name is (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine
PubChem CID164858260
Molecular FormulaC26H40N6O
Molecular Weight452.65 g/mol
Exact Mass452.33
IUPAC Name(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine
SMILESC/C=C\C(CN1CCN(c2ccc(C)c(C(/C=N/CC3CCCCO3)=N/N)c2)CC1)=N/CC
InChIInChI=1S/C26H40N6O/c1-4-8-22(29-5-2)20-31-12-14-32(15-13-31)23-11-10-21(3)25(17-23)26(30-27)19-28-18-24-9-6-7-16-33-24/h4,8,10-11,17,19,24H,5-7,9,12-16,18,20,27H2,1-3H3/b8-4-,28-19+,29-22+,30-26+
InChIKeySYIZBJPESJARDS-QUQKYNDDSA-N
XLogP3.46
TPSA78.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]-N-(3-piperidin-1-ylpropyl)aniline
CID 164857580
(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-ethylphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857513
[3-methyl-1-[3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]azetidin-3-yl]methanamine
CID 164857824
(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
(2Z)-2-[4-(3,3-dimethylazetidin-1-yl)-2-propan-2-yloxyphenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857834
N-[(2E)-2-ethenylpenta-2,4-dienyl]-N-methyl-1-[3-methyl-4-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperidin-3-amine
CID 164857701
(2Z)-2-[4-(2-cyclopropylethynyl)-2-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857594
(2E)-2-[6-(2-cyclopropylethynyl)-4-methylpyridazin-3-yl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164858110
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
CID 86285043
(2E)-2-[5-[2-(3,3-difluorocyclobutyl)ethynyl]-3-methyl-2-pyridinyl]-2-hydrazinylidene-N-(oxan-2-ylmethyl)ethanimine
CID 164857981

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine?
The IUPAC name of (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine (CID 164858260) is (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine?
The canonical SMILES for (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine is C/C=C\C(CN1CCN(c2ccc(C)c(C(/C=N/CC3CCCCO3)=N/N)c2)CC1)=N/CC.
What is the InChIKey of (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine?
The InChIKey is SYIZBJPESJARDS-QUQKYNDDSA-N. The full InChI is InChI=1S/C26H40N6O/c1-4-8-22(29-5-2)20-31-12-14-32(15-13-31)23-11-10-21(3)25(17-23)26(30-27)19-28-18-24-9-6-7-16-33-24/h4,8,10-11,17,19,24H,5-7,9,12-16,18,20,27H2,1-3H3/b8-4-,28-19+,29-22+,30-26+.
What are the key properties of (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine?
(Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine has a molecular weight of 452.65 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-1-[4-[4-methyl-3-[2-(oxan-2-ylmethylimino)ethanehydrazonoyl]phenyl]piperazin-1-yl]pent-3-en-2-imine is sourced from PubChem (CID 164858260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).