1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine

C10H15N3O2 — CID 57469469

IUPAC1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCC)c1
InChIInChI=1S/C10H15N3O2/c1-3-11-8-5-6-10(13(14)15)9(7-8)12-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKeyKYZKXAULYBNUSU-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.46
Rot. Bonds5

About 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine

1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine (PubChem CID 57469469) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
PubChem CID57469469
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCC)c1
InChIInChI=1S/C10H15N3O2/c1-3-11-8-5-6-10(13(14)15)9(7-8)12-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKeyKYZKXAULYBNUSU-UHFFFAOYSA-N
XLogP2.46
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-2-nitrophenol
CID 57133971
N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
N,N-diethyl-3-(ethylamino)-4-nitrobenzenesulfonamide
CID 82854182
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
5-(4-chlorophenoxy)-N-ethyl-2-nitroaniline
CID 70521490
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
ethyl N-[4-(ethylamino)-2-nitrophenyl]carbamate
CID 144511742
3-(ethylamino)-4-nitro-N-thiophen-3-ylbenzamide
CID 66356109
5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
CID 83016700
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine (CID 57469469) is 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine is CCNc1ccc([N+](=O)[O-])c(NCC)c1.
What is the InChIKey of 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine?
The InChIKey is KYZKXAULYBNUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-11-8-5-6-10(13(14)15)9(7-8)12-4-2/h5-7,11-12H,3-4H2,1-2H3.
What are the key properties of 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine?
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine has a molecular weight of 209.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine is sourced from PubChem (CID 57469469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).