2-propylhexanehydrazide

C9H20N2O — CID 86746660

IUPAC2-propylhexanehydrazide
SMILESCCCCC(CCC)C(=O)NN
InChIInChI=1S/C9H20N2O/c1-3-5-7-8(6-4-2)9(12)11-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyUBIQMJIWWYPHPQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.58
Rot. Bonds6

About 2-propylhexanehydrazide

2-propylhexanehydrazide (PubChem CID 86746660) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-propylhexanehydrazide.

Molecular Properties

Compound Name2-propylhexanehydrazide
PubChem CID86746660
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-propylhexanehydrazide
SMILESCCCCC(CCC)C(=O)NN
InChIInChI=1S/C9H20N2O/c1-3-5-7-8(6-4-2)9(12)11-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyUBIQMJIWWYPHPQ-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-octylbutanedihydrazide
CID 19764915
2-propylhexanamide
CID 19818979
N-butan-2-yl-2-propylhexanamide
CID 173163059
phosphane;2-propylhexanoic acid
CID 87429538
2-methylpentanehydrazide
CID 43183484
λ2-stannane;2-propylhexanoic acid
CID 174232814
(4R)-4-propyloctane-2,3-dione
CID 91312315
2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
CID 173246682
methyl 2-propyltetradecanoate
CID 174361538
2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801
2-hexyl-N-hydroxyoctanamide
CID 139661264

Frequently Asked Questions

What is the IUPAC name of 2-propylhexanehydrazide?
The IUPAC name of 2-propylhexanehydrazide (CID 86746660) is 2-propylhexanehydrazide.
What is the SMILES notation for 2-propylhexanehydrazide?
The canonical SMILES for 2-propylhexanehydrazide is CCCCC(CCC)C(=O)NN.
What is the InChIKey of 2-propylhexanehydrazide?
The InChIKey is UBIQMJIWWYPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-7-8(6-4-2)9(12)11-10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-propylhexanehydrazide?
2-propylhexanehydrazide has a molecular weight of 172.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhexanehydrazide is sourced from PubChem (CID 86746660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).