N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine

C14H24N4O3 — CID 115506037

IUPACN-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1cc(NN)cc([N+](=O)[O-])c1)C(C)C
InChIInChI=1S/C14H24N4O3/c1-10(2)17(11(3)4)5-6-21-14-8-12(16-15)7-13(9-14)18(19)20/h7-11,16H,5-6,15H2,1-4H3
InChIKeyALFYKIFUZQBMPY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.38
Rot. Bonds8

About N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115506037) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115506037
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1cc(NN)cc([N+](=O)[O-])c1)C(C)C
InChIInChI=1S/C14H24N4O3/c1-10(2)17(11(3)4)5-6-21-14-8-12(16-15)7-13(9-14)18(19)20/h7-11,16H,5-6,15H2,1-4H3
InChIKeyALFYKIFUZQBMPY-UHFFFAOYSA-N
XLogP2.38
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
(3-nitro-5-pent-4-enoxyphenyl)hydrazine
CID 80922666
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
CID 102989748
[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine
CID 80914835
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
N-(3-methylbutyl)-3-nitro-5-propoxyaniline
CID 80723536
2-N-(3-ethoxy-5-nitrophenyl)propane-1,2-diamine
CID 80742783
3-[3-(dimethylamino)propoxy]-5-nitro-N-propylaniline
CID 80871824
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine (CID 115506037) is N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1cc(NN)cc([N+](=O)[O-])c1)C(C)C.
What is the InChIKey of N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ALFYKIFUZQBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)17(11(3)4)5-6-21-14-8-12(16-15)7-13(9-14)18(19)20/h7-11,16H,5-6,15H2,1-4H3.
What are the key properties of N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115506037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).