2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile

C12H13N5O — CID 169342072

IUPAC2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
SMILESCOCCNc1ccccc1NN=C(C#N)C#N
InChIInChI=1S/C12H13N5O/c1-18-7-6-15-11-4-2-3-5-12(11)17-16-10(8-13)9-14/h2-5,15,17H,6-7H2,1H3
InChIKeyZXSYXQFIHTYHJR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169342072) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169342072
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
SMILESCOCCNc1ccccc1NN=C(C#N)C#N
InChIInChI=1S/C12H13N5O/c1-18-7-6-15-11-4-2-3-5-12(11)17-16-10(8-13)9-14/h2-5,15,17H,6-7H2,1H3
InChIKeyZXSYXQFIHTYHJR-UHFFFAOYSA-N
XLogP1.56
TPSA93.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341724
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
CID 11120659
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
N-(2-methoxyethyl)-2-phenylaniline
CID 28569408
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
2-[[5-fluoro-2-(2-methoxyethylamino)anilino]methylidene]propanedinitrile
CID 168543825
2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile
CID 169341274

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile (CID 169342072) is 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile is COCCNc1ccccc1NN=C(C#N)C#N.
What is the InChIKey of 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is ZXSYXQFIHTYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-18-7-6-15-11-4-2-3-5-12(11)17-16-10(8-13)9-14/h2-5,15,17H,6-7H2,1H3.
What are the key properties of 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 243.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169342072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).