3-butoxypropylhydrazine

C7H18N2O — CID 90288115

IUPAC3-butoxypropylhydrazine
SMILESCCCCOCCCNN
InChIInChI=1S/C7H18N2O/c1-2-3-6-10-7-4-5-9-8/h9H,2-8H2,1H3
InChIKeyULKKMWFCFNSLLA-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.66
Rot. Bonds7

About 3-butoxypropylhydrazine

3-butoxypropylhydrazine (PubChem CID 90288115) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-butoxypropylhydrazine.

Molecular Properties

Compound Name3-butoxypropylhydrazine
PubChem CID90288115
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-butoxypropylhydrazine
SMILESCCCCOCCCNN
InChIInChI=1S/C7H18N2O/c1-2-3-6-10-7-4-5-9-8/h9H,2-8H2,1H3
InChIKeyULKKMWFCFNSLLA-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.66
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-butoxypropylhydrazine?
The IUPAC name of 3-butoxypropylhydrazine (CID 90288115) is 3-butoxypropylhydrazine.
What is the SMILES notation for 3-butoxypropylhydrazine?
The canonical SMILES for 3-butoxypropylhydrazine is CCCCOCCCNN.
What is the InChIKey of 3-butoxypropylhydrazine?
The InChIKey is ULKKMWFCFNSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-3-6-10-7-4-5-9-8/h9H,2-8H2,1H3.
What are the key properties of 3-butoxypropylhydrazine?
3-butoxypropylhydrazine has a molecular weight of 146.23 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypropylhydrazine is sourced from PubChem (CID 90288115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).