3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine

C11H24N2O — CID 126612593

IUPAC3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine
SMILESCC[C@@H]1CCCC(CCCNN)OC1
InChIInChI=1S/C11H24N2O/c1-2-10-5-3-6-11(14-9-10)7-4-8-13-12/h10-11,13H,2-9,12H2,1H3/t10-,11?/m1/s1
InChIKeyWVBQUARLGSATKX-NFJWQWPMSA-N
MW200.33 g/mol
LogP1.83
Rot. Bonds5

About 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine

3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine (PubChem CID 126612593) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine.

Molecular Properties

Compound Name3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine
PubChem CID126612593
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine
SMILESCC[C@@H]1CCCC(CCCNN)OC1
InChIInChI=1S/C11H24N2O/c1-2-10-5-3-6-11(14-9-10)7-4-8-13-12/h10-11,13H,2-9,12H2,1H3/t10-,11?/m1/s1
InChIKeyWVBQUARLGSATKX-NFJWQWPMSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine?
The IUPAC name of 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine (CID 126612593) is 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine.
What is the SMILES notation for 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine?
The canonical SMILES for 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine is CC[C@@H]1CCCC(CCCNN)OC1.
What is the InChIKey of 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine?
The InChIKey is WVBQUARLGSATKX-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-10-5-3-6-11(14-9-10)7-4-8-13-12/h10-11,13H,2-9,12H2,1H3/t10-,11?/m1/s1.
What are the key properties of 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine?
3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine has a molecular weight of 200.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-ethyloxepan-2-yl]propylhydrazine is sourced from PubChem (CID 126612593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).