2-(pentylhydrazinylidene)propanedinitrile

C8H12N4 — CID 87178264

IUPAC2-(pentylhydrazinylidene)propanedinitrile
SMILESCCCCCNN=C(C#N)C#N
InChIInChI=1S/C8H12N4/c1-2-3-4-5-11-12-8(6-9)7-10/h11H,2-5H2,1H3
InChIKeyXIVZEJFXVOCGMV-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.17
Rot. Bonds5

About 2-(pentylhydrazinylidene)propanedinitrile

2-(pentylhydrazinylidene)propanedinitrile (PubChem CID 87178264) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(pentylhydrazinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(pentylhydrazinylidene)propanedinitrile
PubChem CID87178264
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(pentylhydrazinylidene)propanedinitrile
SMILESCCCCCNN=C(C#N)C#N
InChIInChI=1S/C8H12N4/c1-2-3-4-5-11-12-8(6-9)7-10/h11H,2-5H2,1H3
InChIKeyXIVZEJFXVOCGMV-UHFFFAOYSA-N
XLogP1.17
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(6Z)-6-(octylhydrazinylidene)heptan-1-ol
CID 6393234
(2Z)-2-(octadecylhydrazinylidene)propanoic acid
CID 88766395
N-thionitrosopentan-1-amine
CID 87525507
(pentylamino)methanol;hydrate
CID 174681478
2-methylidenehexadecanenitrile
CID 15496090
3-methyl-2-(tetradecylamino)but-2-enenitrile
CID 141459237
2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337835
N-thionitrosohexan-1-amine
CID 88687267
henicosanoyl cyanide
CID 54273514
2-(nonylamino)acetonitrile
CID 151643365
1-pentyl-3-(pentylcarbamoylimino)urea
CID 175865906
2-(hexylamino)acetonitrile;hydrochloride
CID 22259892

Frequently Asked Questions

What is the IUPAC name of 2-(pentylhydrazinylidene)propanedinitrile?
The IUPAC name of 2-(pentylhydrazinylidene)propanedinitrile (CID 87178264) is 2-(pentylhydrazinylidene)propanedinitrile.
What is the SMILES notation for 2-(pentylhydrazinylidene)propanedinitrile?
The canonical SMILES for 2-(pentylhydrazinylidene)propanedinitrile is CCCCCNN=C(C#N)C#N.
What is the InChIKey of 2-(pentylhydrazinylidene)propanedinitrile?
The InChIKey is XIVZEJFXVOCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-3-4-5-11-12-8(6-9)7-10/h11H,2-5H2,1H3.
What are the key properties of 2-(pentylhydrazinylidene)propanedinitrile?
2-(pentylhydrazinylidene)propanedinitrile has a molecular weight of 164.21 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylhydrazinylidene)propanedinitrile is sourced from PubChem (CID 87178264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).