3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline

C12H20N4O2 — CID 80895010

IUPAC3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
SMILESCCCCCN(C)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-3-4-5-9-15(2)11-8-6-7-10(14-13)12(11)16(17)18/h6-8,14H,3-5,9,13H2,1-2H3
InChIKeyBZMVQZALERUQTA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds7

About 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline

3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline (PubChem CID 80895010) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
PubChem CID80895010
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
SMILESCCCCCN(C)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-3-4-5-9-15(2)11-8-6-7-10(14-13)12(11)16(17)18/h6-8,14H,3-5,9,13H2,1-2H3
InChIKeyBZMVQZALERUQTA-UHFFFAOYSA-N
XLogP2.51
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
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

3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline?
The IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline (CID 80895010) is 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline is CCCCCN(C)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline?
The InChIKey is BZMVQZALERUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-4-5-9-15(2)11-8-6-7-10(14-13)12(11)16(17)18/h6-8,14H,3-5,9,13H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline?
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline has a molecular weight of 252.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline is sourced from PubChem (CID 80895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).