N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide

C11H15N3O2 — CID 525834

IUPACN,N-dimethyl-N'-(4-nitrophenyl)propanimidamide
SMILESCC/C(=N\c1ccc([N+](=O)[O-])cc1)N(C)C
InChIInChI=1S/C11H15N3O2/c1-4-11(13(2)3)12-9-5-7-10(8-6-9)14(15)16/h5-8H,4H2,1-3H3/b12-11+
InChIKeyHQOAXGNEDSQDEE-VAWYXSNFSA-N
MW221.26 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide

N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide (PubChem CID 525834) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-nitrophenyl)propanimidamide
PubChem CID525834
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN,N-dimethyl-N'-(4-nitrophenyl)propanimidamide
SMILESCC/C(=N\c1ccc([N+](=O)[O-])cc1)N(C)C
InChIInChI=1S/C11H15N3O2/c1-4-11(13(2)3)12-9-5-7-10(8-6-9)14(15)16/h5-8H,4H2,1-3H3/b12-11+
InChIKeyHQOAXGNEDSQDEE-VAWYXSNFSA-N
XLogP2.60
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.60
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,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide
CID 525893
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
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282
N-[N-(4-chlorophenyl)-C-ethylcarbonimidoyl]-N-methylcarbamoyl chloride
CID 54331988
1,1,3,3-tetramethyl-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111064851
ethyl-methyl-(4-nitrophenyl)imino-oxo-λ6-sulfane
CID 124582986
1-nitro-4-nitrosobenzene
CID 643547
ethanol;1-methyl-4-nitrobenzene
CID 91088173
1-(dimethylamino)-1-(4-nitrophenyl)butan-2-one
CID 67724931
1,4-dinitrobenzene;nitrous acid
CID 174371180

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide (CID 525834) is N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide is CC/C(=N\c1ccc([N+](=O)[O-])cc1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide?
The InChIKey is HQOAXGNEDSQDEE-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-11(13(2)3)12-9-5-7-10(8-6-9)14(15)16/h5-8H,4H2,1-3H3/b12-11+.
What are the key properties of N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide?
N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide has a molecular weight of 221.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-nitrophenyl)propanimidamide is sourced from PubChem (CID 525834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).