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

C17H30N2O — CID 170000414

IUPAC3-[3-(2-propylpentoxy)phenyl]propylhydrazine
SMILESCCCC(CCC)COc1cccc(CCCNN)c1
InChIInChI=1S/C17H30N2O/c1-3-7-16(8-4-2)14-20-17-11-5-9-15(13-17)10-6-12-19-18/h5,9,11,13,16,19H,3-4,6-8,10,12,14,18H2,1-2H3
InChIKeyQLEXPXRWBMNPDJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.68
Rot. Bonds11

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

3-[3-(2-propylpentoxy)phenyl]propylhydrazine (PubChem CID 170000414) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[3-(2-propylpentoxy)phenyl]propylhydrazine.

Molecular Properties

Compound Name3-[3-(2-propylpentoxy)phenyl]propylhydrazine
PubChem CID170000414
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[3-(2-propylpentoxy)phenyl]propylhydrazine
SMILESCCCC(CCC)COc1cccc(CCCNN)c1
InChIInChI=1S/C17H30N2O/c1-3-7-16(8-4-2)14-20-17-11-5-9-15(13-17)10-6-12-19-18/h5,9,11,13,16,19H,3-4,6-8,10,12,14,18H2,1-2H3
InChIKeyQLEXPXRWBMNPDJ-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.68
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-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
CID 139783783
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1-(3-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 173358957
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
1-(6-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 54090557

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-propylpentoxy)phenyl]propylhydrazine?
The IUPAC name of 3-[3-(2-propylpentoxy)phenyl]propylhydrazine (CID 170000414) is 3-[3-(2-propylpentoxy)phenyl]propylhydrazine.
What is the SMILES notation for 3-[3-(2-propylpentoxy)phenyl]propylhydrazine?
The canonical SMILES for 3-[3-(2-propylpentoxy)phenyl]propylhydrazine is CCCC(CCC)COc1cccc(CCCNN)c1.
What is the InChIKey of 3-[3-(2-propylpentoxy)phenyl]propylhydrazine?
The InChIKey is QLEXPXRWBMNPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-7-16(8-4-2)14-20-17-11-5-9-15(13-17)10-6-12-19-18/h5,9,11,13,16,19H,3-4,6-8,10,12,14,18H2,1-2H3.
What are the key properties of 3-[3-(2-propylpentoxy)phenyl]propylhydrazine?
3-[3-(2-propylpentoxy)phenyl]propylhydrazine has a molecular weight of 278.44 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-propylpentoxy)phenyl]propylhydrazine is sourced from PubChem (CID 170000414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).