2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile

C15H18N4O — CID 169337835

IUPAC2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
SMILESCCCCCCOc1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C15H18N4O/c1-2-3-4-5-10-20-15-8-6-13(7-9-15)18-19-14(11-16)12-17/h6-9,18H,2-5,10H2,1H3
InChIKeyWSRHXFNHWCROHP-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.46
Rot. Bonds8

About 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile

2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337835) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID169337835
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
SMILESCCCCCCOc1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C15H18N4O/c1-2-3-4-5-10-20-15-8-6-13(7-9-15)18-19-14(11-16)12-17/h6-9,18H,2-5,10H2,1H3
InChIKeyWSRHXFNHWCROHP-UHFFFAOYSA-N
XLogP3.46
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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CID 172976307
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CID 168606751
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
1,4-di(tetradecoxy)benzene
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1,4-di(pentacontoxy)benzene
CID 88721659
4-hexoxybenzonitrile;4-hexoxy-N-methylaniline
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4-decoxybenzonitrile
CID 19021371
4-hexoxy-N-methylaniline
CID 54803445
1,4-dipentoxybenzene
CID 18314717
4-(4-tetradecoxyanilino)phenol
CID 174780996
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
1-pentoxy-4-(sulfinoamino)benzene
CID 69101346

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile (CID 169337835) is 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile is CCCCCCOc1ccc(NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is WSRHXFNHWCROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-4-5-10-20-15-8-6-13(7-9-15)18-19-14(11-16)12-17/h6-9,18H,2-5,10H2,1H3.
What are the key properties of 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile?
2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 270.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).