N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine

C12H18N4O2 — CID 4049063

IUPACN-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/N=N/c1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C12H18N4O2/c1-9(2)15(10(3)4)14-13-11-5-7-12(8-6-11)16(17)18/h5-10H,1-4H3/b14-13+
InChIKeyZACKTSVIIOMNNP-BUHFOSPRSA-N
MW250.30 g/mol
LogP3.71
Rot. Bonds5

About N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine

N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine (PubChem CID 4049063) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine
PubChem CID4049063
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/N=N/c1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C12H18N4O2/c1-9(2)15(10(3)4)14-13-11-5-7-12(8-6-11)16(17)18/h5-10H,1-4H3/b14-13+
InChIKeyZACKTSVIIOMNNP-BUHFOSPRSA-N
XLogP3.71
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

Disperse orange 25
CID 92278
N,N-Dimethyl-4-nitroaniline
CID 7491
3,3-Dimethyl-1-(4-nitrophenyl)-1-triazene
CID 81648
1-(4-Nitrophenyl)-2-phenyldiazene
CID 17222
N,N-Diethyl-4-nitrobenzenamine
CID 75185
N-Methyl-4-nitro-N-nitrosobenzenamine
CID 13671
3,3-Dimethyl-1-(3-nitrophenyl)triazene
CID 88426
1-Methyl-3-(4-nitrophenyl)-1-triazene
CID 94508
N,N-Diethyl-4-((4-nitrophenyl)azo)aniline
CID 18186
1-Azido-4-nitrobenzene
CID 137049
4'-Nitro-4-dimethylaminoazobenzene
CID 17225
N-methyl-N-[(4-nitrophenyl)diazenyl]aniline
CID 4562252

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine (CID 4049063) is N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine is CC(C)N(/N=N/c1ccc([N+](=O)[O-])cc1)C(C)C.
What is the InChIKey of N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZACKTSVIIOMNNP-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)15(10(3)4)14-13-11-5-7-12(8-6-11)16(17)18/h5-10H,1-4H3/b14-13+.
What are the key properties of N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine?
N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 250.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)diazenyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 4049063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).