3-[3-(2-ethylbutoxy)phenyl]propylhydrazine

C15H26N2O — CID 170000412

IUPAC3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
SMILESCCC(CC)COc1cccc(CCCNN)c1
InChIInChI=1S/C15H26N2O/c1-3-13(4-2)12-18-15-9-5-7-14(11-15)8-6-10-17-16/h5,7,9,11,13,17H,3-4,6,8,10,12,16H2,1-2H3
InChIKeyNCOKODGHEJGPBD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.90
Rot. Bonds9

About 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine

3-[3-(2-ethylbutoxy)phenyl]propylhydrazine (PubChem CID 170000412) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine.

Molecular Properties

Compound Name3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
PubChem CID170000412
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
SMILESCCC(CC)COc1cccc(CCCNN)c1
InChIInChI=1S/C15H26N2O/c1-3-13(4-2)12-18-15-9-5-7-14(11-15)8-6-10-17-16/h5,7,9,11,13,17H,3-4,6,8,10,12,16H2,1-2H3
InChIKeyNCOKODGHEJGPBD-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.90
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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Related Compounds

3-[3-(2-propylpentoxy)phenyl]propylhydrazine
CID 170000414
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
CID 139783783
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
CID 163746108
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine?
The IUPAC name of 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine (CID 170000412) is 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine.
What is the SMILES notation for 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine?
The canonical SMILES for 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine is CCC(CC)COc1cccc(CCCNN)c1.
What is the InChIKey of 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine?
The InChIKey is NCOKODGHEJGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-13(4-2)12-18-15-9-5-7-14(11-15)8-6-10-17-16/h5,7,9,11,13,17H,3-4,6,8,10,12,16H2,1-2H3.
What are the key properties of 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine?
3-[3-(2-ethylbutoxy)phenyl]propylhydrazine has a molecular weight of 250.39 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylbutoxy)phenyl]propylhydrazine is sourced from PubChem (CID 170000412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).