N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide

C13H19N3O2 — CID 525893

IUPACN,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide
SMILESCN(C)/C(=N\c1ccc([N+](=O)[O-])cc1)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2,3)12(15(4)5)14-10-6-8-11(9-7-10)16(17)18/h6-9H,1-5H3/b14-12-
InChIKeyWHUWWSOADACHNY-OWBHPGMISA-N
MW249.31 g/mol
LogP3.23
Rot. Bonds2

About N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide

N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide (PubChem CID 525893) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide
PubChem CID525893
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide
SMILESCN(C)/C(=N\c1ccc([N+](=O)[O-])cc1)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2,3)12(15(4)5)14-10-6-8-11(9-7-10)16(17)18/h6-9H,1-5H3/b14-12-
InChIKeyWHUWWSOADACHNY-OWBHPGMISA-N
XLogP3.23
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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,N-dimethyl-N'-(4-nitrophenyl)propanimidamide
CID 525834
N'-(4-methoxyphenyl)-N,N,2,2-tetramethylpropanimidamide
CID 525889
N-(4-tert-butylphenyl)-1,1-bis(4-nitrophenyl)methanimine
CID 166063764
2-(4-chlorophenyl)-N,N-dimethyl-2-(4-nitrophenyl)iminoethanethioamide
CID 11142568
methyl N'-(4-nitrophenyl)carbamimidothioate;hydroiodide
CID 22100069
methyl-(4-nitrophenyl)diazene
CID 20760343
1-nitro-4-nitrosobenzene
CID 643547
1,4-dinitrobenzene;nitrous acid
CID 174371180
N-(4-nitrophenyl)-N-(propan-2-ylideneamino)nitramide
CID 88847387
mercury(2+);nitrobenzene;(4-nitrophenyl)iminomethanedithiolate
CID 10437179
1,1,3,3-tetramethyl-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111064851
(N-tert-butyl-4-nitroanilino)-hydroxy-hydroxyiminoazanium
CID 137083392

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide?
The IUPAC name of N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide (CID 525893) is N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide is CN(C)/C(=N\c1ccc([N+](=O)[O-])cc1)C(C)(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide?
The InChIKey is WHUWWSOADACHNY-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)12(15(4)5)14-10-6-8-11(9-7-10)16(17)18/h6-9H,1-5H3/b14-12-.
What are the key properties of N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide?
N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide has a molecular weight of 249.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide is sourced from PubChem (CID 525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).