2-octylbutanedihydrazide

C12H26N4O2 — CID 19764915

IUPAC2-octylbutanedihydrazide
SMILESCCCCCCCCC(CC(=O)NN)C(=O)NN
InChIInChI=1S/C12H26N4O2/c1-2-3-4-5-6-7-8-10(12(18)16-14)9-11(17)15-13/h10H,2-9,13-14H2,1H3,(H,15,17)(H,16,18)
InChIKeyKCWFQBNIKKWCJP-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.72
Rot. Bonds10

About 2-octylbutanedihydrazide

2-octylbutanedihydrazide (PubChem CID 19764915) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-octylbutanedihydrazide.

Molecular Properties

Compound Name2-octylbutanedihydrazide
PubChem CID19764915
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-octylbutanedihydrazide
SMILESCCCCCCCCC(CC(=O)NN)C(=O)NN
InChIInChI=1S/C12H26N4O2/c1-2-3-4-5-6-7-8-10(12(18)16-14)9-11(17)15-13/h10H,2-9,13-14H2,1H3,(H,15,17)(H,16,18)
InChIKeyKCWFQBNIKKWCJP-UHFFFAOYSA-N
XLogP0.72
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-ethylhexanehydrazide
CID 40549650
2-propylhexanehydrazide
CID 86746660
N-methyl-2-octadecylbutanediamide
CID 88809525
3-pentylnonan-2-one
CID 21290467
2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
CID 173246682
2-aminooxydodecanehydrazide
CID 19105405
3-ethyl-4-oxopentanehydrazide
CID 160685877
2-hexyl-N-hydroxyoctanamide
CID 139661264
methyl 2-undecyltridecanoate
CID 176610383
N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
CID 54060083
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941
3-butylundecan-2-one
CID 10922232

Frequently Asked Questions

What is the IUPAC name of 2-octylbutanedihydrazide?
The IUPAC name of 2-octylbutanedihydrazide (CID 19764915) is 2-octylbutanedihydrazide.
What is the SMILES notation for 2-octylbutanedihydrazide?
The canonical SMILES for 2-octylbutanedihydrazide is CCCCCCCCC(CC(=O)NN)C(=O)NN.
What is the InChIKey of 2-octylbutanedihydrazide?
The InChIKey is KCWFQBNIKKWCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-2-3-4-5-6-7-8-10(12(18)16-14)9-11(17)15-13/h10H,2-9,13-14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-octylbutanedihydrazide?
2-octylbutanedihydrazide has a molecular weight of 258.37 g/mol, XLogP of 0.72, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylbutanedihydrazide is sourced from PubChem (CID 19764915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).