N'-(4-chlorophenyl)-3-methylbutanimidamide

C11H15ClN2 — CID 22285644

IUPACN'-(4-chlorophenyl)-3-methylbutanimidamide
SMILESCC(C)C/C(N)=N\c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-8(2)7-11(13)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyAOSPWOFIKFHHBP-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.37
Rot. Bonds3

About N'-(4-chlorophenyl)-3-methylbutanimidamide

N'-(4-chlorophenyl)-3-methylbutanimidamide (PubChem CID 22285644) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-3-methylbutanimidamide
PubChem CID22285644
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-(4-chlorophenyl)-3-methylbutanimidamide
SMILESCC(C)C/C(N)=N\c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-8(2)7-11(13)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyAOSPWOFIKFHHBP-UHFFFAOYSA-N
XLogP3.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-3-methylbutanimidamide?
The IUPAC name of N'-(4-chlorophenyl)-3-methylbutanimidamide (CID 22285644) is N'-(4-chlorophenyl)-3-methylbutanimidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-3-methylbutanimidamide?
The canonical SMILES for N'-(4-chlorophenyl)-3-methylbutanimidamide is CC(C)C/C(N)=N\c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-3-methylbutanimidamide?
The InChIKey is AOSPWOFIKFHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8(2)7-11(13)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of N'-(4-chlorophenyl)-3-methylbutanimidamide?
N'-(4-chlorophenyl)-3-methylbutanimidamide has a molecular weight of 210.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-3-methylbutanimidamide is sourced from PubChem (CID 22285644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).