3-methyl-2-octoxybutanehydrazide

C13H28N2O2 — CID 55213016

IUPAC3-methyl-2-octoxybutanehydrazide
SMILESCCCCCCCCOC(C(=O)NN)C(C)C
InChIInChI=1S/C13H28N2O2/c1-4-5-6-7-8-9-10-17-12(11(2)3)13(16)15-14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyMIHBQODVWRPQEP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.38
Rot. Bonds10

About 3-methyl-2-octoxybutanehydrazide

3-methyl-2-octoxybutanehydrazide (PubChem CID 55213016) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-2-octoxybutanehydrazide.

Molecular Properties

Compound Name3-methyl-2-octoxybutanehydrazide
PubChem CID55213016
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-methyl-2-octoxybutanehydrazide
SMILESCCCCCCCCOC(C(=O)NN)C(C)C
InChIInChI=1S/C13H28N2O2/c1-4-5-6-7-8-9-10-17-12(11(2)3)13(16)15-14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyMIHBQODVWRPQEP-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R,3R)-2,3-didodecoxy-4-hydrazinyl-4-oxobutanoic acid
CID 141133429
2-hexoxy-3-methoxypropanehydrazide
CID 103229247
N,N'-bis(2-aminoethyl)-2,3-dioctoxybutanediamide
CID 145374873
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
methyl 2-hydroxy-3-octadecoxybutanoate
CID 175428260
(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
ethyl 2-nonoxypropanoate
CID 88680880
ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate
CID 172723618
octyl N-aminocarbamate
CID 129323256
henicosyl N-aminocarbamate
CID 174861039
2-pentoxypropanamide
CID 62900296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-octoxybutanehydrazide?
The IUPAC name of 3-methyl-2-octoxybutanehydrazide (CID 55213016) is 3-methyl-2-octoxybutanehydrazide.
What is the SMILES notation for 3-methyl-2-octoxybutanehydrazide?
The canonical SMILES for 3-methyl-2-octoxybutanehydrazide is CCCCCCCCOC(C(=O)NN)C(C)C.
What is the InChIKey of 3-methyl-2-octoxybutanehydrazide?
The InChIKey is MIHBQODVWRPQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-5-6-7-8-9-10-17-12(11(2)3)13(16)15-14/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-2-octoxybutanehydrazide?
3-methyl-2-octoxybutanehydrazide has a molecular weight of 244.38 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-octoxybutanehydrazide is sourced from PubChem (CID 55213016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).