N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline

C15H26N4O2 — CID 80929398

IUPACN-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline
SMILESCCCCCC(C)(C)CNc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H26N4O2/c1-4-5-6-7-15(2,3)11-17-12-8-13(18-16)10-14(9-12)19(20)21/h8-10,17-18H,4-7,11,16H2,1-3H3
InChIKeyJQOKJXYJFYGANN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.90
Rot. Bonds9

About N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline

N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline (PubChem CID 80929398) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline
PubChem CID80929398
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline
SMILESCCCCCC(C)(C)CNc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H26N4O2/c1-4-5-6-7-15(2,3)11-17-12-8-13(18-16)10-14(9-12)19(20)21/h8-10,17-18H,4-7,11,16H2,1-3H3
InChIKeyJQOKJXYJFYGANN-UHFFFAOYSA-N
XLogP3.90
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
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

N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-5-nitroaniline
CID 80929129
N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline
CID 80915908
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
3-hydrazinyl-N-(3-methylsulfanylpropyl)-5-nitroaniline
CID 80913011
3-N-hexyl-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80835827
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
3-N-butyl-5-nitrobenzene-1,3-diamine
CID 80785572
3-N-(2-methoxy-2-methylpropyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 104767259
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
2-methyl-1-[3-(methylamino)-5-nitroanilino]propan-2-ol
CID 80840452
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline?
The IUPAC name of N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline (CID 80929398) is N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline.
What is the SMILES notation for N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline?
The canonical SMILES for N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline is CCCCCC(C)(C)CNc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline?
The InChIKey is JQOKJXYJFYGANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-5-6-7-15(2,3)11-17-12-8-13(18-16)10-14(9-12)19(20)21/h8-10,17-18H,4-7,11,16H2,1-3H3.
What are the key properties of N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline?
N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline has a molecular weight of 294.40 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 80929398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).