[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine

C15H25N3O3 — CID 62244153

IUPAC[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine
SMILESCCCCCCC(C)OCc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C15H25N3O3/c1-3-4-5-6-7-12(2)21-11-13-10-14(18(19)20)8-9-15(13)17-16/h8-10,12,17H,3-7,11,16H2,1-2H3
InChIKeyYMLSIVDSDINHGG-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.76
Rot. Bonds10

About [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine

[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine (PubChem CID 62244153) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine
PubChem CID62244153
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine
SMILESCCCCCCC(C)OCc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C15H25N3O3/c1-3-4-5-6-7-12(2)21-11-13-10-14(18(19)20)8-9-15(13)17-16/h8-10,12,17H,3-7,11,16H2,1-2H3
InChIKeyYMLSIVDSDINHGG-UHFFFAOYSA-N
XLogP3.76
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.76
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine
CID 62244152
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
CID 62244516
1-chloro-4-nitro-2-(pentan-2-yloxymethyl)benzene
CID 102981474
octan-2-yl 2-amino-4-nitrobenzoate
CID 63540460
[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine
CID 107170564
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CID 103191221
N-methyl-2-(4-methylpentoxymethyl)-4-nitroaniline
CID 55044650
2-chloro-5-nitro-N-octan-2-ylaniline
CID 43718899
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide
CID 107458142

Frequently Asked Questions

What is the IUPAC name of [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine?
The IUPAC name of [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine (CID 62244153) is [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine.
What is the SMILES notation for [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine?
The canonical SMILES for [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine is CCCCCCC(C)OCc1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine?
The InChIKey is YMLSIVDSDINHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-4-5-6-7-12(2)21-11-13-10-14(18(19)20)8-9-15(13)17-16/h8-10,12,17H,3-7,11,16H2,1-2H3.
What are the key properties of [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine?
[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine has a molecular weight of 295.38 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine is sourced from PubChem (CID 62244153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).