(1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine

C21H26N4O2 — CID 164858572

IUPAC(1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine
SMILESCC(=N\CC1CCCCO1)/C(=N\N)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C21H26N4O2/c1-16(24-14-20-7-3-5-13-26-20)21(25-22)17-8-10-19(11-9-17)27-15-18-6-2-4-12-23-18/h2,4,6,8-12,20H,3,5,7,13-15,22H2,1H3/b24-16+,25-21+
InChIKeyOELNOPWTJILYNI-ADGWQJBRSA-N
MW366.47 g/mol
LogP3.35
Rot. Bonds7

About (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine

(1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine (PubChem CID 164858572) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine.

Molecular Properties

Compound Name(1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine
PubChem CID164858572
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine
SMILESCC(=N\CC1CCCCO1)/C(=N\N)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C21H26N4O2/c1-16(24-14-20-7-3-5-13-26-20)21(25-22)17-8-10-19(11-9-17)27-15-18-6-2-4-12-23-18/h2,4,6,8-12,20H,3,5,7,13-15,22H2,1H3/b24-16+,25-21+
InChIKeyOELNOPWTJILYNI-ADGWQJBRSA-N
XLogP3.35
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

1-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 95766827
2-methyl-1-(oxolan-2-ylmethyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111137531
2-methyl-1-(oxolan-2-ylmethyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111137530
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 172657074
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
1-cyclopentyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110989574
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111698723

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine?
The IUPAC name of (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine (CID 164858572) is (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine.
What is the SMILES notation for (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine?
The canonical SMILES for (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine is CC(=N\CC1CCCCO1)/C(=N\N)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine?
The InChIKey is OELNOPWTJILYNI-ADGWQJBRSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(24-14-20-7-3-5-13-26-20)21(25-22)17-8-10-19(11-9-17)27-15-18-6-2-4-12-23-18/h2,4,6,8-12,20H,3,5,7,13-15,22H2,1H3/b24-16+,25-21+.
What are the key properties of (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine?
(1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine has a molecular weight of 366.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydrazinylidene-N-(oxan-2-ylmethyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-imine is sourced from PubChem (CID 164858572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).