N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide

C12H17ClN2 — CID 67032180

IUPACN'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C/C(N)=N/c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-12(2,3)8-11(14)15-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyRLEJRZCSXWBNGD-UHFFFAOYSA-N
MW224.74 g/mol
LogP3.76
Rot. Bonds2

About N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide

N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide (PubChem CID 67032180) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
PubChem CID67032180
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC NameN'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C/C(N)=N/c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-12(2,3)8-11(14)15-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyRLEJRZCSXWBNGD-UHFFFAOYSA-N
XLogP3.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 63178650
N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride
CID 21328978
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
1,3-dichlorobenzene;guanidine
CID 174959611
5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide
CID 141473363
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579
2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
CID 131233186
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
CID 104580168
N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide
CID 129074919
N'-(3-chlorophenyl)-N-hydroxymethanimidamide
CID 20763326

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide (CID 67032180) is N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide is CC(C)(C)C/C(N)=N/c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide?
The InChIKey is RLEJRZCSXWBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(2,3)8-11(14)15-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3,(H2,14,15).
What are the key properties of N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide?
N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide has a molecular weight of 224.74 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide is sourced from PubChem (CID 67032180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).