3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile

C12H24N6 — CID 172935466

IUPAC3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile
SMILESCCCCC/C=N/NCCC#N.N#CCCNN
InChIInChI=1S/C9H17N3.C3H7N3/c1-2-3-4-5-8-11-12-9-6-7-10;4-2-1-3-6-5/h8,12H,2-6,9H2,1H3;6H,1,3,5H2/b11-8+;
InChIKeyRFZTZLQPSMKCOM-YGCVIUNWSA-N
MW252.37 g/mol
LogP1.42
Rot. Bonds9

About 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile

3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile (PubChem CID 172935466) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile.

Molecular Properties

Compound Name3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile
PubChem CID172935466
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile
SMILESCCCCC/C=N/NCCC#N.N#CCCNN
InChIInChI=1S/C9H17N3.C3H7N3/c1-2-3-4-5-8-11-12-9-6-7-10;4-2-1-3-6-5/h8,12H,2-6,9H2,1H3;6H,1,3,5H2/b11-8+;
InChIKeyRFZTZLQPSMKCOM-YGCVIUNWSA-N
XLogP1.42
TPSA110.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[(Z)-hexadecylideneamino]hexadecan-1-amine
CID 91745707
3-[[(E)-hept-1-enyl]amino]propanenitrile
CID 101282817
(E)-dec-4-enenitrile
CID 88850530
(Z)-N-(propylideneamino)octadec-9-en-1-amine
CID 173363504
N-[(Z)-butylideneamino]propan-1-amine
CID 5369173
N-(dodecylideneamino)hydroxylamine
CID 91556209
undecylidenecyanamide
CID 21412181
octadec-6-enenitrile
CID 54098739
octacosylidenecyanamide
CID 21412222
3-(2-methylidenenonylamino)propanenitrile
CID 163840487
prop-1-ene;tetradecylhydrazine
CID 88793277
N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine
CID 135256608

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile?
The IUPAC name of 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile (CID 172935466) is 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile.
What is the SMILES notation for 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile?
The canonical SMILES for 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile is CCCCC/C=N/NCCC#N.N#CCCNN.
What is the InChIKey of 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile?
The InChIKey is RFZTZLQPSMKCOM-YGCVIUNWSA-N. The full InChI is InChI=1S/C9H17N3.C3H7N3/c1-2-3-4-5-8-11-12-9-6-7-10;4-2-1-3-6-5/h8,12H,2-6,9H2,1H3;6H,1,3,5H2/b11-8+;.
What are the key properties of 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile?
3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile has a molecular weight of 252.37 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile is sourced from PubChem (CID 172935466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).