2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine

C12H26N2O3 — CID 163607209

IUPAC2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine
SMILESCC(C)(CC1(C)CO1)OCCCOCCNN
InChIInChI=1S/C12H26N2O3/c1-11(2,9-12(3)10-17-12)16-7-4-6-15-8-5-14-13/h14H,4-10,13H2,1-3H3
InChIKeyHCUNABCNPMHFLV-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.83
Rot. Bonds10

About 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine

2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine (PubChem CID 163607209) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine.

Molecular Properties

Compound Name2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine
PubChem CID163607209
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine
SMILESCC(C)(CC1(C)CO1)OCCCOCCNN
InChIInChI=1S/C12H26N2O3/c1-11(2,9-12(3)10-17-12)16-7-4-6-15-8-5-14-13/h14H,4-10,13H2,1-3H3
InChIKeyHCUNABCNPMHFLV-UHFFFAOYSA-N
XLogP0.83
TPSA69.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-(2-methylbutan-2-yloxy)propoxy]ethanamine
CID 134441292
2-pentoxyethylhydrazine
CID 130704956
2-(2-hydrazinylethoxy)-2-methylpropan-1-ol
CID 126700280
2-[(2-methylpropan-2-yl)oxy]ethylhydrazine
CID 86615301
2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 103179188
2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 155739307
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-[2-(3-methoxypropoxy)ethyl]-1-methylcyclopentan-1-amine
CID 103178720
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanehydrazide
CID 103407191
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
(2S)-2-methyl-2-(2-propoxyethyl)oxirane
CID 10773103
3-[4-(2-hydrazinylethoxy)-2-methylbutan-2-yl]oxy-3-methylbutanoyl iodide
CID 163938191

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine?
The IUPAC name of 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine (CID 163607209) is 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine.
What is the SMILES notation for 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine?
The canonical SMILES for 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine is CC(C)(CC1(C)CO1)OCCCOCCNN.
What is the InChIKey of 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine?
The InChIKey is HCUNABCNPMHFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2,9-12(3)10-17-12)16-7-4-6-15-8-5-14-13/h14H,4-10,13H2,1-3H3.
What are the key properties of 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine?
2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine has a molecular weight of 246.35 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methyl-1-(2-methyloxiran-2-yl)propan-2-yl]oxypropoxy]ethylhydrazine is sourced from PubChem (CID 163607209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).